Browse entries in the PDBbind-CN Database
HEADER 2B17_COMPLEX COMPND 2B17_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER LEU LEU GLU PHE GLY LYS MET ILE LEU GLU GLU THR SEQRES 2 A 121 GLY LYS LEU ALA ILE PRO SER TYR SER SER TYR GLY CYS SEQRES 3 A 121 TYR CYS GLY TRP GLY GLY LYS GLY THR PRO LYS ASP ALA SEQRES 4 A 121 THR ASP ARG CYS CYS PHE VAL HIS ASP CYS CYS TYR GLY SEQRES 5 A 121 ASN LEU PRO ASP CYS ASN PRO LYS SER ASP ARG TYR LYS SEQRES 6 A 121 TYR LYS ARG VAL ASN GLY ALA ILE VAL CYS GLU LYS GLY SEQRES 7 A 121 THR SER CYS GLU ASN ARG ILE CYS GLU CYS ASP LYS ALA SEQRES 8 A 121 ALA ALA ILE CYS PHE ARG GLN ASN LEU ASN THR TYR SER SEQRES 9 A 121 LYS LYS TYR MET LEU TYR PRO ASP PHE LEU CYS LYS GLY SEQRES 10 A 121 GLU LEU LYS CYS HET DIF A 207 29 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 61 CYS A 91 SSBOND 3 CYS A 84 CYS A 96 SSBOND 4 CYS A 51 CYS A 98 SSBOND 5 CYS A 44 CYS A 105 SSBOND 6 CYS A 27 CYS A 126 SSBOND 7 CYS A 50 CYS A 133 ATOM 1 N SER A 1 41.878 40.323 3.481 1.00 26.58 N ATOM 2 CA SER A 1 42.083 39.612 4.769 1.00 26.36 C ATOM 3 C SER A 1 42.516 38.181 4.493 1.00 26.34 C ATOM 4 O SER A 1 42.359 37.681 3.382 1.00 24.66 O ATOM 5 CB SER A 1 40.790 39.614 5.596 1.00 26.67 C ATOM 6 OG SER A 1 39.783 38.823 4.989 1.00 27.25 O ATOM 7 HA SER A 1 42.858 40.126 5.337 1.00 0.00 H ATOM 8 HB2 SER A 1 40.429 40.638 5.687 1.00 0.00 H ATOM 9 HB3 SER A 1 41.003 39.216 6.588 1.00 0.00 H ATOM 10 HG SER A 1 39.580 39.183 4.089 1.00 0.00 H ATOM 11 HN3 SER A 1 41.141 39.837 2.931 1.00 0.00 H ATOM 12 HN2 SER A 1 42.768 40.327 2.943 1.00 0.00 H ATOM 13 HN1 SER A 1 41.582 41.302 3.670 1.00 0.00 H ATOM 14 N LEU A 2 43.064 37.528 5.511 1.00 27.73 N ATOM 15 CA LEU A 2 43.529 36.155 5.378 1.00 29.05 C ATOM 16 C LEU A 2 42.482 35.324 4.637 1.00 29.15 C ATOM 17 O LEU A 2 42.813 34.482 3.805 1.00 30.68 O ATOM 18 CB LEU A 2 43.804 35.572 6.769 1.00 29.48 C ATOM 19 CG LEU A 2 45.132 34.822 6.942 1.00 30.45 C ATOM 20 CD1 LEU A 2 46.269 35.605 6.297 1.00 30.21 C ATOM 21 CD2 LEU A 2 45.412 34.604 8.421 1.00 30.39 C ATOM 22 HA LEU A 2 44.454 36.133 4.802 1.00 0.00 H ATOM 23 HB2 LEU A 2 43.792 36.396 7.483 1.00 0.00 H ATOM 24 HB3 LEU A 2 42.997 34.878 7.004 1.00 0.00 H ATOM 25 HG LEU A 2 45.059 33.852 6.449 1.00 0.00 H ATOM 26 HD21 LEU A 2 45.474 35.569 8.924 1.00 0.00 H ATOM 27 HD22 LEU A 2 44.606 34.016 8.859 1.00 0.00 H ATOM 28 HD23 LEU A 2 46.356 34.071 8.536 1.00 0.00 H ATOM 29 HD11 LEU A 2 46.065 35.729 5.233 1.00 0.00 H ATOM 30 HD12 LEU A 2 46.348 36.584 6.770 1.00 0.00 H ATOM 31 HD13 LEU A 2 47.204 35.060 6.428 1.00 0.00 H ATOM 32 H LEU A 2 43.164 38.010 6.427 1.00 0.00 H ATOM 33 N LEU A 3 41.218 35.596 4.934 1.00 28.23 N ATOM 34 CA LEU A 3 40.091 34.902 4.323 1.00 27.42 C ATOM 35 C LEU A 3 40.088 34.981 2.782 1.00 26.54 C ATOM 36 O LEU A 3 39.868 33.978 2.107 1.00 26.16 O ATOM 37 CB LEU A 3 38.799 35.467 4.934 1.00 28.95 C ATOM 38 CG LEU A 3 37.395 35.361 4.331 1.00 30.31 C ATOM 39 CD1 LEU A 3 37.282 36.316 3.158 1.00 32.62 C ATOM 40 CD2 LEU A 3 37.097 33.941 3.915 1.00 31.26 C ATOM 41 HA LEU A 3 40.174 33.837 4.540 1.00 0.00 H ATOM 42 HB2 LEU A 3 38.723 35.005 5.918 1.00 0.00 H ATOM 43 HB3 LEU A 3 38.981 36.536 5.049 1.00 0.00 H ATOM 44 HG LEU A 3 36.656 35.638 5.082 1.00 0.00 H ATOM 45 HD21 LEU A 3 37.825 33.622 3.170 1.00 0.00 H ATOM 46 HD22 LEU A 3 37.156 33.288 4.786 1.00 0.00 H ATOM 47 HD23 LEU A 3 36.095 33.891 3.490 1.00 0.00 H ATOM 48 HD11 LEU A 3 37.457 37.335 3.503 1.00 0.00 H ATOM 49 HD12 LEU A 3 38.025 36.054 2.405 1.00 0.00 H ATOM 50 HD13 LEU A 3 36.284 36.243 2.727 1.00 0.00 H ATOM 51 H LEU A 3 41.022 36.339 5.635 1.00 0.00 H ATOM 52 N GLU A 4 40.343 36.164 2.229 1.00 25.37 N ATOM 53 CA GLU A 4 40.375 36.348 0.776 1.00 23.23 C ATOM 54 C GLU A 4 41.615 35.729 0.136 1.00 22.26 C ATOM 55 O GLU A 4 41.543 35.108 -0.929 1.00 21.61 O ATOM 56 CB GLU A 4 40.352 37.841 0.412 1.00 24.02 C ATOM 57 CG GLU A 4 38.974 38.479 0.384 1.00 27.45 C ATOM 58 CD GLU A 4 38.471 38.849 1.762 1.00 28.86 C ATOM 59 OE1 GLU A 4 37.248 39.052 1.918 1.00 30.84 O ATOM 60 OE2 GLU A 4 39.302 38.949 2.685 1.00 28.13 O ATOM 61 HA GLU A 4 39.488 35.844 0.392 1.00 0.00 H ATOM 62 HB2 GLU A 4 40.957 38.376 1.144 1.00 0.00 H ATOM 63 HB3 GLU A 4 40.796 37.954 -0.577 1.00 0.00 H ATOM 64 HG2 GLU A 4 39.020 39.382 -0.224 1.00 0.00 H ATOM 65 HG3 GLU A 4 38.273 37.775 -0.066 1.00 0.00 H ATOM 66 H GLU A 4 40.525 36.981 2.846 1.00 0.00 H ATOM 67 N PHE A 5 42.754 35.920 0.791 1.00 20.04 N ATOM 68 CA PHE A 5 44.028 35.421 0.302 1.00 18.40 C ATOM 69 C PHE A 5 44.015 33.915 0.048 1.00 19.10 C ATOM 70 O PHE A 5 44.452 33.456 -1.005 1.00 19.89 O ATOM 71 CB PHE A 5 45.123 35.791 1.306 1.00 16.06 C ATOM 72 CG PHE A 5 46.522 35.560 0.809 1.00 12.08 C ATOM 73 CD1 PHE A 5 46.855 35.795 -0.517 1.00 12.02 C ATOM 74 CD2 PHE A 5 47.519 35.159 1.686 1.00 11.91 C ATOM 75 CE1 PHE A 5 48.161 35.641 -0.962 1.00 11.33 C ATOM 76 CE2 PHE A 5 48.826 35.001 1.253 1.00 11.93 C ATOM 77 CZ PHE A 5 49.150 35.241 -0.073 1.00 12.16 C ATOM 78 HA PHE A 5 44.227 35.889 -0.662 1.00 0.00 H ATOM 79 HB2 PHE A 5 45.018 36.848 1.552 1.00 0.00 H ATOM 80 HB3 PHE A 5 44.977 35.194 2.206 1.00 0.00 H ATOM 81 HD2 PHE A 5 47.271 34.966 2.730 1.00 0.00 H ATOM 82 HE2 PHE A 5 49.599 34.688 1.955 1.00 0.00 H ATOM 83 HZ PHE A 5 50.177 35.116 -0.417 1.00 0.00 H ATOM 84 HE1 PHE A 5 48.409 35.833 -2.006 1.00 0.00 H ATOM 85 HD1 PHE A 5 46.081 36.105 -1.219 1.00 0.00 H ATOM 86 H PHE A 5 42.734 36.446 1.688 1.00 0.00 H ATOM 87 N GLY A 6 43.502 33.151 1.005 1.00 18.99 N ATOM 88 CA GLY A 6 43.457 31.710 0.844 1.00 19.20 C ATOM 89 C GLY A 6 42.601 31.298 -0.336 1.00 20.04 C ATOM 90 O GLY A 6 42.988 30.434 -1.125 1.00 19.40 O ATOM 91 HA3 GLY A 6 43.044 31.267 1.750 1.00 0.00 H ATOM 92 HA2 GLY A 6 44.471 31.341 0.690 1.00 0.00 H ATOM 93 H GLY A 6 43.131 33.587 1.873 1.00 0.00 H ATOM 94 N LYS A 7 41.429 31.912 -0.453 1.00 20.45 N ATOM 95 CA LYS A 7 40.526 31.606 -1.549 1.00 22.44 C ATOM 96 C LYS A 7 41.234 31.940 -2.863 1.00 22.78 C ATOM 97 O LYS A 7 41.164 31.185 -3.837 1.00 21.57 O ATOM 98 CB LYS A 7 39.240 32.416 -1.394 1.00 25.19 C ATOM 99 CG LYS A 7 38.240 32.267 -2.529 1.00 28.82 C ATOM 100 CD LYS A 7 36.961 33.018 -2.199 1.00 32.35 C ATOM 101 CE LYS A 7 36.075 33.212 -3.429 1.00 36.08 C ATOM 102 NZ LYS A 7 36.694 34.118 -4.448 1.00 35.73 N ATOM 103 HA LYS A 7 40.259 30.549 -1.546 1.00 0.00 H ATOM 104 HB2 LYS A 7 38.752 32.102 -0.471 1.00 0.00 H ATOM 105 HB3 LYS A 7 39.511 33.469 -1.320 1.00 0.00 H ATOM 106 HG2 LYS A 7 38.670 32.672 -3.445 1.00 0.00 H ATOM 107 HG3 LYS A 7 38.012 31.211 -2.673 1.00 0.00 H ATOM 108 HD2 LYS A 7 36.405 32.454 -1.450 1.00 0.00 H ATOM 109 HD3 LYS A 7 37.222 33.996 -1.795 1.00 0.00 H ATOM 110 HE2 LYS A 7 35.125 33.641 -3.111 1.00 0.00 H ATOM 111 HE3 LYS A 7 35.897 32.240 -3.888 1.00 0.00 H ATOM 112 HZ1 LYS A 7 36.861 35.053 -4.023 1.00 0.00 H ATOM 113 HZ2 LYS A 7 37.598 33.714 -4.766 1.00 0.00 H ATOM 114 HZ3 LYS A 7 36.052 34.214 -5.260 1.00 0.00 H ATOM 115 H LYS A 7 41.153 32.624 0.253 1.00 0.00 H ATOM 116 N MET A 8 41.925 33.075 -2.874 1.00 22.68 N ATOM 117 CA MET A 8 42.677 33.504 -4.047 1.00 22.50 C ATOM 118 C MET A 8 43.716 32.418 -4.357 1.00 21.72 C ATOM 119 O MET A 8 43.886 32.016 -5.516 1.00 21.02 O ATOM 120 CB MET A 8 43.369 34.838 -3.752 1.00 23.97 C ATOM 121 CG MET A 8 43.994 35.524 -4.953 1.00 24.31 C ATOM 122 SD MET A 8 44.643 37.159 -4.553 1.00 25.53 S ATOM 123 CE MET A 8 43.179 38.163 -4.792 1.00 24.60 C ATOM 124 HA MET A 8 42.017 33.645 -4.903 1.00 0.00 H ATOM 125 HB2 MET A 8 42.629 35.515 -3.325 1.00 0.00 H ATOM 126 HB3 MET A 8 44.156 34.655 -3.021 1.00 0.00 H ATOM 127 HG2 MET A 8 43.237 35.628 -5.730 1.00 0.00 H ATOM 128 HG3 MET A 8 44.810 34.905 -5.324 1.00 0.00 H ATOM 129 HE1 MET A 8 42.838 38.067 -5.823 1.00 0.00 H ATOM 130 HE2 MET A 8 42.394 37.825 -4.115 1.00 0.00 H ATOM 131 HE3 MET A 8 43.417 39.206 -4.583 1.00 0.00 H ATOM 132 H MET A 8 41.929 33.673 -2.023 1.00 0.00 H ATOM 133 N ILE A 9 44.393 31.943 -3.310 1.00 19.49 N ATOM 134 CA ILE A 9 45.404 30.895 -3.438 1.00 18.72 C ATOM 135 C ILE A 9 44.804 29.667 -4.123 1.00 18.91 C ATOM 136 O ILE A 9 45.266 29.245 -5.186 1.00 18.26 O ATOM 137 CB ILE A 9 45.945 30.440 -2.050 1.00 18.96 C ATOM 138 CG1 ILE A 9 46.542 31.620 -1.275 1.00 19.75 C ATOM 139 CG2 ILE A 9 46.961 29.327 -2.231 1.00 17.82 C ATOM 140 CD1 ILE A 9 47.860 31.292 -0.598 1.00 21.53 C ATOM 141 HA ILE A 9 46.220 31.314 -4.026 1.00 0.00 H ATOM 142 HB ILE A 9 45.113 30.056 -1.460 1.00 0.00 H ATOM 143 HG12 ILE A 9 46.706 32.443 -1.971 1.00 0.00 H ATOM 144 HG13 ILE A 9 45.828 31.928 -0.511 1.00 0.00 H ATOM 145 HD11 ILE A 9 47.710 30.477 0.110 1.00 0.00 H ATOM 146 HD12 ILE A 9 48.589 30.992 -1.351 1.00 0.00 H ATOM 147 HD13 ILE A 9 48.224 32.173 -0.069 1.00 0.00 H ATOM 148 HG21 ILE A 9 46.486 28.481 -2.728 1.00 0.00 H ATOM 149 HG22 ILE A 9 47.790 29.689 -2.840 1.00 0.00 H ATOM 150 HG23 ILE A 9 47.334 29.015 -1.255 1.00 0.00 H ATOM 151 H ILE A 9 44.194 32.333 -2.367 1.00 0.00 H ATOM 152 N LEU A 10 43.770 29.106 -3.496 1.00 18.79 N ATOM 153 CA LEU A 10 43.084 27.917 -3.996 1.00 17.57 C ATOM 154 C LEU A 10 42.689 28.019 -5.465 1.00 17.96 C ATOM 155 O LEU A 10 42.995 27.127 -6.254 1.00 18.50 O ATOM 156 CB LEU A 10 41.836 27.636 -3.152 1.00 17.29 C ATOM 157 CG LEU A 10 40.975 26.421 -3.523 1.00 16.61 C ATOM 158 CD1 LEU A 10 41.822 25.157 -3.502 1.00 14.72 C ATOM 159 CD2 LEU A 10 39.811 26.302 -2.547 1.00 13.50 C ATOM 160 HA LEU A 10 43.795 27.095 -3.913 1.00 0.00 H ATOM 161 HB2 LEU A 10 42.165 27.498 -2.122 1.00 0.00 H ATOM 162 HB3 LEU A 10 41.197 28.517 -3.213 1.00 0.00 H ATOM 163 HG LEU A 10 40.578 26.552 -4.529 1.00 0.00 H ATOM 164 HD21 LEU A 10 40.198 26.177 -1.536 1.00 0.00 H ATOM 165 HD22 LEU A 10 39.204 27.206 -2.596 1.00 0.00 H ATOM 166 HD23 LEU A 10 39.202 25.438 -2.814 1.00 0.00 H ATOM 167 HD11 LEU A 10 42.635 25.254 -4.221 1.00 0.00 H ATOM 168 HD12 LEU A 10 42.234 25.014 -2.503 1.00 0.00 H ATOM 169 HD13 LEU A 10 41.201 24.301 -3.767 1.00 0.00 H ATOM 170 H LEU A 10 43.436 29.535 -2.609 1.00 0.00 H ATOM 171 N GLU A 11 42.012 29.099 -5.839 1.00 17.67 N ATOM 172 CA GLU A 11 41.600 29.265 -7.230 1.00 18.26 C ATOM 173 C GLU A 11 42.816 29.257 -8.132 1.00 18.57 C ATOM 174 O GLU A 11 42.812 28.659 -9.203 1.00 18.18 O ATOM 175 CB GLU A 11 40.879 30.593 -7.442 1.00 16.93 C ATOM 176 CG GLU A 11 39.789 30.884 -6.456 1.00 20.18 C ATOM 177 CD GLU A 11 39.220 32.268 -6.637 1.00 20.79 C ATOM 178 OE1 GLU A 11 39.996 33.191 -6.969 1.00 22.53 O ATOM 179 OE2 GLU A 11 38.001 32.436 -6.435 1.00 21.75 O ATOM 180 HA GLU A 11 40.928 28.441 -7.469 1.00 0.00 H ATOM 181 HB2 GLU A 11 41.617 31.393 -7.378 1.00 0.00 H ATOM 182 HB3 GLU A 11 40.440 30.585 -8.440 1.00 0.00 H ATOM 183 HG2 GLU A 11 38.990 30.154 -6.588 1.00 0.00 H ATOM 184 HG3 GLU A 11 40.194 30.799 -5.448 1.00 0.00 H ATOM 185 H GLU A 11 41.774 29.830 -5.138 1.00 0.00 H ATOM 186 N GLU A 12 43.864 29.927 -7.679 1.00 20.25 N ATOM 187 CA GLU A 12 45.078 30.043 -8.464 1.00 21.73 C ATOM 188 C GLU A 12 45.904 28.766 -8.568 1.00 23.48 C ATOM 189 O GLU A 12 46.308 28.384 -9.665 1.00 24.97 O ATOM 190 CB GLU A 12 45.946 31.173 -7.903 1.00 20.19 C ATOM 191 CG GLU A 12 46.807 31.859 -8.946 1.00 18.85 C ATOM 192 CD GLU A 12 45.984 32.644 -9.954 1.00 18.61 C ATOM 193 OE1 GLU A 12 46.563 33.122 -10.955 1.00 19.51 O ATOM 194 OE2 GLU A 12 44.761 32.787 -9.746 1.00 17.49 O ATOM 195 HA GLU A 12 44.749 30.261 -9.480 1.00 0.00 H ATOM 196 HB2 GLU A 12 45.291 31.919 -7.453 1.00 0.00 H ATOM 197 HB3 GLU A 12 46.600 30.756 -7.137 1.00 0.00 H ATOM 198 HG2 GLU A 12 47.489 32.544 -8.442 1.00 0.00 H ATOM 199 HG3 GLU A 12 47.382 31.101 -9.478 1.00 0.00 H ATOM 200 H GLU A 12 43.816 30.378 -6.743 1.00 0.00 H ATOM 201 N THR A 13 46.138 28.097 -7.443 1.00 24.03 N ATOM 202 CA THR A 13 46.965 26.894 -7.440 1.00 25.01 C ATOM 203 C THR A 13 46.261 25.556 -7.300 1.00 26.03 C ATOM 204 O THR A 13 46.878 24.514 -7.509 1.00 26.48 O ATOM 205 CB THR A 13 47.998 26.950 -6.318 1.00 26.07 C ATOM 206 OG1 THR A 13 47.326 26.908 -5.052 1.00 27.70 O ATOM 207 CG2 THR A 13 48.810 28.225 -6.412 1.00 27.79 C ATOM 208 HA THR A 13 47.394 26.919 -8.442 1.00 0.00 H ATOM 209 HB THR A 13 48.669 26.096 -6.412 1.00 0.00 H ATOM 210 HG1 THR A 13 46.714 27.683 -4.979 1.00 0.00 H ATOM 211 HG23 THR A 13 49.322 28.258 -7.374 1.00 0.00 H ATOM 212 HG21 THR A 13 48.146 29.085 -6.322 1.00 0.00 H ATOM 213 HG22 THR A 13 49.545 28.246 -5.607 1.00 0.00 H ATOM 214 H THR A 13 45.725 28.436 -6.551 1.00 0.00 H ATOM 215 N GLY A 14 44.986 25.567 -6.935 1.00 26.92 N ATOM 216 CA GLY A 14 44.284 24.312 -6.763 1.00 24.81 C ATOM 217 C GLY A 14 44.686 23.685 -5.444 1.00 25.29 C ATOM 218 O GLY A 14 44.228 22.597 -5.103 1.00 27.92 O ATOM 219 HA3 GLY A 14 44.540 23.637 -7.580 1.00 0.00 H ATOM 220 HA2 GLY A 14 43.209 24.493 -6.767 1.00 0.00 H ATOM 221 H GLY A 14 44.494 26.469 -6.774 1.00 0.00 H ATOM 222 N LYS A 16 45.558 24.362 -4.701 1.00 25.29 N ATOM 223 CA LYS A 16 46.002 23.868 -3.397 1.00 25.51 C ATOM 224 C LYS A 16 45.366 24.698 -2.282 1.00 25.80 C ATOM 225 O LYS A 16 44.929 25.827 -2.514 1.00 27.75 O ATOM 226 CB LYS A 16 47.526 23.937 -3.288 1.00 26.07 C ATOM 227 CG LYS A 16 48.262 22.912 -4.140 1.00 26.81 C ATOM 228 CD LYS A 16 49.768 23.009 -3.926 1.00 28.11 C ATOM 229 CE LYS A 16 50.513 21.846 -4.578 1.00 29.62 C ATOM 230 NZ LYS A 16 50.177 20.539 -3.948 1.00 30.72 N ATOM 231 HA LYS A 16 45.691 22.828 -3.295 1.00 0.00 H ATOM 232 HB2 LYS A 16 47.846 24.932 -3.598 1.00 0.00 H ATOM 233 HB3 LYS A 16 47.802 23.776 -2.246 1.00 0.00 H ATOM 234 HG2 LYS A 16 47.926 21.912 -3.866 1.00 0.00 H ATOM 235 HG3 LYS A 16 48.038 23.094 -5.191 1.00 0.00 H ATOM 236 HD2 LYS A 16 50.126 23.943 -4.358 1.00 0.00 H ATOM 237 HD3 LYS A 16 49.973 23.003 -2.855 1.00 0.00 H ATOM 238 HE2 LYS A 16 51.585 22.017 -4.482 1.00 0.00 H ATOM 239 HE3 LYS A 16 50.246 21.806 -5.634 1.00 0.00 H ATOM 240 HZ1 LYS A 16 50.435 20.565 -2.941 1.00 0.00 H ATOM 241 HZ2 LYS A 16 49.156 20.363 -4.041 1.00 0.00 H ATOM 242 HZ3 LYS A 16 50.706 19.780 -4.423 1.00 0.00 H ATOM 243 H LYS A 16 45.933 25.265 -5.056 1.00 0.00 H ATOM 244 N LEU A 17 45.308 24.146 -1.075 1.00 25.67 N ATOM 245 CA LEU A 17 44.708 24.861 0.053 1.00 26.41 C ATOM 246 C LEU A 17 45.751 25.631 0.867 1.00 26.56 C ATOM 247 O LEU A 17 46.773 25.065 1.268 1.00 24.98 O ATOM 248 CB LEU A 17 43.968 23.873 0.965 1.00 26.25 C ATOM 249 CG LEU A 17 42.761 23.135 0.361 1.00 26.39 C ATOM 250 CD1 LEU A 17 42.441 21.885 1.177 1.00 23.91 C ATOM 251 CD2 LEU A 17 41.562 24.075 0.302 1.00 24.94 C ATOM 252 HA LEU A 17 44.006 25.587 -0.357 1.00 0.00 H ATOM 253 HB2 LEU A 17 44.687 23.120 1.286 1.00 0.00 H ATOM 254 HB3 LEU A 17 43.613 24.429 1.833 1.00 0.00 H ATOM 255 HG LEU A 17 43.002 22.818 -0.654 1.00 0.00 H ATOM 256 HD21 LEU A 17 41.315 24.410 1.309 1.00 0.00 H ATOM 257 HD22 LEU A 17 41.808 24.937 -0.319 1.00 0.00 H ATOM 258 HD23 LEU A 17 40.709 23.548 -0.126 1.00 0.00 H ATOM 259 HD11 LEU A 17 43.304 21.219 1.173 1.00 0.00 H ATOM 260 HD12 LEU A 17 42.207 22.172 2.202 1.00 0.00 H ATOM 261 HD13 LEU A 17 41.585 21.374 0.736 1.00 0.00 H ATOM 262 H LEU A 17 45.695 23.192 -0.929 1.00 0.00 H ATOM 263 N ALA A 18 45.488 26.921 1.094 1.00 26.28 N ATOM 264 CA ALA A 18 46.388 27.776 1.871 1.00 26.14 C ATOM 265 C ALA A 18 46.908 26.952 3.044 1.00 27.29 C ATOM 266 O ALA A 18 48.114 26.751 3.188 1.00 28.55 O ATOM 267 CB ALA A 18 45.645 29.002 2.370 1.00 24.26 C ATOM 268 HA ALA A 18 47.218 28.120 1.254 1.00 0.00 H ATOM 269 HB1 ALA A 18 45.263 29.565 1.519 1.00 0.00 H ATOM 270 HB2 ALA A 18 44.814 28.689 3.003 1.00 0.00 H ATOM 271 HB3 ALA A 18 46.326 29.629 2.946 1.00 0.00 H ATOM 272 H ALA A 18 44.615 27.332 0.706 1.00 0.00 H ATOM 273 N ILE A 19 45.992 26.482 3.885 1.00 26.50 N ATOM 274 CA ILE A 19 46.360 25.620 5.001 1.00 26.81 C ATOM 275 C ILE A 19 45.996 24.240 4.478 1.00 27.89 C ATOM 276 O ILE A 19 44.875 24.032 4.024 1.00 30.52 O ATOM 277 CB ILE A 19 45.500 25.867 6.247 1.00 27.24 C ATOM 278 CG1 ILE A 19 45.527 27.342 6.640 1.00 26.93 C ATOM 279 CG2 ILE A 19 46.009 25.018 7.395 1.00 25.53 C ATOM 280 CD1 ILE A 19 44.669 27.633 7.846 1.00 25.69 C ATOM 281 HA ILE A 19 47.398 25.773 5.295 1.00 0.00 H ATOM 282 HB ILE A 19 44.470 25.591 6.019 1.00 0.00 H ATOM 283 HG12 ILE A 19 46.555 27.626 6.865 1.00 0.00 H ATOM 284 HG13 ILE A 19 45.164 27.935 5.801 1.00 0.00 H ATOM 285 HD11 ILE A 19 43.636 27.361 7.629 1.00 0.00 H ATOM 286 HD12 ILE A 19 45.029 27.052 8.695 1.00 0.00 H ATOM 287 HD13 ILE A 19 44.725 28.696 8.082 1.00 0.00 H ATOM 288 HG21 ILE A 19 45.953 23.965 7.119 1.00 0.00 H ATOM 289 HG22 ILE A 19 47.044 25.284 7.611 1.00 0.00 H ATOM 290 HG23 ILE A 19 45.395 25.197 8.278 1.00 0.00 H ATOM 291 H ILE A 19 44.993 26.734 3.744 1.00 0.00 H ATOM 292 N PRO A 20 46.916 23.269 4.548 1.00 28.29 N ATOM 293 CA PRO A 20 48.278 23.322 5.077 1.00 27.70 C ATOM 294 C PRO A 20 49.357 23.368 4.004 1.00 26.84 C ATOM 295 O PRO A 20 50.526 23.146 4.305 1.00 28.33 O ATOM 296 CB PRO A 20 48.360 22.031 5.861 1.00 29.09 C ATOM 297 CG PRO A 20 47.693 21.071 4.898 1.00 28.38 C ATOM 298 CD PRO A 20 46.497 21.865 4.355 1.00 27.85 C ATOM 299 HA PRO A 20 48.456 24.229 5.655 1.00 0.00 H ATOM 300 HD3 PRO A 20 46.328 21.648 3.300 1.00 0.00 H ATOM 301 HD2 PRO A 20 45.591 21.645 4.920 1.00 0.00 H ATOM 302 HG3 PRO A 20 47.359 20.172 5.415 1.00 0.00 H ATOM 303 HG2 PRO A 20 48.373 20.794 4.092 1.00 0.00 H ATOM 304 HB2 PRO A 20 49.393 21.747 6.060 1.00 0.00 H ATOM 305 HB3 PRO A 20 47.815 22.098 6.803 1.00 0.00 H ATOM 306 N SER A 21 48.979 23.644 2.763 1.00 25.87 N ATOM 307 CA SER A 21 49.958 23.676 1.681 1.00 25.46 C ATOM 308 C SER A 21 50.935 24.849 1.708 1.00 24.49 C ATOM 309 O SER A 21 52.089 24.694 1.313 1.00 23.94 O ATOM 310 CB SER A 21 49.246 23.636 0.326 1.00 27.28 C ATOM 311 OG SER A 21 48.657 22.364 0.093 1.00 27.87 O ATOM 312 HA SER A 21 50.570 22.787 1.836 1.00 0.00 H ATOM 313 HB2 SER A 21 49.969 23.843 -0.463 1.00 0.00 H ATOM 314 HB3 SER A 21 48.466 24.397 0.311 1.00 0.00 H ATOM 315 HG SER A 21 48.205 22.367 -0.788 1.00 0.00 H ATOM 316 H SER A 21 47.978 23.839 2.559 1.00 0.00 H ATOM 317 N TYR A 22 50.483 26.011 2.176 1.00 23.67 N ATOM 318 CA TYR A 22 51.338 27.200 2.228 1.00 23.83 C ATOM 319 C TYR A 22 51.377 27.870 3.596 1.00 25.43 C ATOM 320 O TYR A 22 52.068 28.874 3.779 1.00 27.67 O ATOM 321 CB TYR A 22 50.870 28.236 1.197 1.00 22.65 C ATOM 322 CG TYR A 22 51.024 27.788 -0.237 1.00 22.48 C ATOM 323 CD1 TYR A 22 52.284 27.617 -0.801 1.00 23.51 C ATOM 324 CD2 TYR A 22 49.910 27.533 -1.031 1.00 22.63 C ATOM 325 CE1 TYR A 22 52.434 27.208 -2.120 1.00 22.89 C ATOM 326 CE2 TYR A 22 50.047 27.121 -2.353 1.00 23.24 C ATOM 327 CZ TYR A 22 51.313 26.962 -2.891 1.00 23.66 C ATOM 328 OH TYR A 22 51.448 26.577 -4.207 1.00 24.02 O ATOM 329 HA TYR A 22 52.345 26.846 2.006 1.00 0.00 H ATOM 330 HB3 TYR A 22 51.453 29.146 1.337 1.00 0.00 H ATOM 331 HB2 TYR A 22 49.817 28.449 1.379 1.00 0.00 H ATOM 332 HD2 TYR A 22 48.912 27.658 -0.610 1.00 0.00 H ATOM 333 HE2 TYR A 22 49.164 26.925 -2.961 1.00 0.00 H ATOM 334 HE1 TYR A 22 53.430 27.082 -2.545 1.00 0.00 H ATOM 335 HD1 TYR A 22 53.171 27.808 -0.196 1.00 0.00 H ATOM 336 HH TYR A 22 52.410 26.510 -4.433 1.00 0.00 H ATOM 337 H TYR A 22 49.501 26.076 2.512 1.00 0.00 H ATOM 338 N SER A 23 50.636 27.335 4.558 1.00 25.61 N ATOM 339 CA SER A 23 50.607 27.935 5.885 1.00 24.27 C ATOM 340 C SER A 23 51.891 27.707 6.688 1.00 23.46 C ATOM 341 O SER A 23 52.159 28.423 7.648 1.00 24.23 O ATOM 342 CB SER A 23 49.399 27.410 6.663 1.00 24.06 C ATOM 343 OG SER A 23 49.413 25.994 6.732 1.00 25.55 O ATOM 344 HA SER A 23 50.525 29.012 5.740 1.00 0.00 H ATOM 345 HB2 SER A 23 48.486 27.733 6.164 1.00 0.00 H ATOM 346 HB3 SER A 23 49.422 27.816 7.674 1.00 0.00 H ATOM 347 HG SER A 23 48.622 25.682 7.239 1.00 0.00 H ATOM 348 H SER A 23 50.073 26.483 4.363 1.00 0.00 H ATOM 349 N SER A 24 52.689 26.721 6.297 1.00 22.38 N ATOM 350 CA SER A 24 53.931 26.441 7.012 1.00 22.21 C ATOM 351 C SER A 24 55.031 25.989 6.055 1.00 21.06 C ATOM 352 O SER A 24 55.820 25.098 6.380 1.00 20.59 O ATOM 353 CB SER A 24 53.706 25.345 8.051 1.00 24.43 C ATOM 354 OG SER A 24 53.813 24.050 7.465 1.00 26.00 O ATOM 355 HA SER A 24 54.242 27.364 7.502 1.00 0.00 H ATOM 356 HB2 SER A 24 52.711 25.460 8.480 1.00 0.00 H ATOM 357 HB3 SER A 24 54.453 25.442 8.838 1.00 0.00 H ATOM 358 HG SER A 24 54.717 23.938 7.078 1.00 0.00 H ATOM 359 H SER A 24 52.427 26.142 5.473 1.00 0.00 H ATOM 360 N TYR A 25 55.084 26.605 4.880 1.00 18.58 N ATOM 361 CA TYR A 25 56.078 26.244 3.882 1.00 17.58 C ATOM 362 C TYR A 25 57.339 27.090 4.030 1.00 18.20 C ATOM 363 O TYR A 25 57.283 28.239 4.472 1.00 18.38 O ATOM 364 CB TYR A 25 55.475 26.410 2.485 1.00 17.91 C ATOM 365 CG TYR A 25 56.306 25.836 1.366 1.00 17.29 C ATOM 366 CD1 TYR A 25 57.491 26.451 0.959 1.00 17.48 C ATOM 367 CD2 TYR A 25 55.899 24.678 0.696 1.00 18.96 C ATOM 368 CE1 TYR A 25 58.252 25.932 -0.091 1.00 18.40 C ATOM 369 CE2 TYR A 25 56.654 24.147 -0.356 1.00 19.11 C ATOM 370 CZ TYR A 25 57.829 24.782 -0.742 1.00 18.61 C ATOM 371 OH TYR A 25 58.582 24.271 -1.770 1.00 17.60 O ATOM 372 HA TYR A 25 56.365 25.203 4.030 1.00 0.00 H ATOM 373 HB3 TYR A 25 55.342 27.475 2.297 1.00 0.00 H ATOM 374 HB2 TYR A 25 54.503 25.916 2.474 1.00 0.00 H ATOM 375 HD2 TYR A 25 54.978 24.180 0.998 1.00 0.00 H ATOM 376 HE2 TYR A 25 56.324 23.243 -0.868 1.00 0.00 H ATOM 377 HE1 TYR A 25 59.173 26.428 -0.397 1.00 0.00 H ATOM 378 HD1 TYR A 25 57.829 27.353 1.470 1.00 0.00 H ATOM 379 HH TYR A 25 59.378 24.843 -1.911 1.00 0.00 H ATOM 380 H TYR A 25 54.401 27.361 4.669 1.00 0.00 H ATOM 381 N GLY A 26 58.478 26.505 3.673 1.00 18.51 N ATOM 382 CA GLY A 26 59.747 27.207 3.765 1.00 19.87 C ATOM 383 C GLY A 26 59.975 28.013 5.035 1.00 20.94 C ATOM 384 O GLY A 26 59.475 27.670 6.107 1.00 20.30 O ATOM 385 HA3 GLY A 26 59.811 27.892 2.919 1.00 0.00 H ATOM 386 HA2 GLY A 26 60.544 26.467 3.693 1.00 0.00 H ATOM 387 H GLY A 26 58.461 25.526 3.321 1.00 0.00 H ATOM 388 N CYS A 27 60.734 29.099 4.903 1.00 21.30 N ATOM 389 CA CYS A 27 61.053 29.958 6.028 1.00 21.29 C ATOM 390 C CYS A 27 60.169 31.192 6.148 1.00 21.79 C ATOM 391 O CYS A 27 60.224 31.888 7.160 1.00 22.19 O ATOM 392 CB CYS A 27 62.514 30.409 5.949 1.00 23.09 C ATOM 393 SG CYS A 27 63.775 29.098 6.138 1.00 27.22 S ATOM 394 HA CYS A 27 60.871 29.350 6.914 1.00 0.00 H ATOM 395 HB2 CYS A 27 62.678 31.145 6.736 1.00 0.00 H ATOM 396 HB3 CYS A 27 62.665 30.879 4.977 1.00 0.00 H ATOM 397 H CYS A 27 61.110 29.339 3.964 1.00 0.00 H ATOM 398 N TYR A 28 59.355 31.472 5.134 1.00 22.60 N ATOM 399 CA TYR A 28 58.502 32.656 5.181 1.00 21.96 C ATOM 400 C TYR A 28 57.017 32.452 4.938 1.00 23.52 C ATOM 401 O TYR A 28 56.226 33.349 5.191 1.00 26.71 O ATOM 402 CB TYR A 28 59.012 33.708 4.199 1.00 20.05 C ATOM 403 CG TYR A 28 60.332 34.307 4.601 1.00 19.87 C ATOM 404 CD1 TYR A 28 61.528 33.625 4.376 1.00 19.63 C ATOM 405 CD2 TYR A 28 60.385 35.542 5.245 1.00 19.65 C ATOM 406 CE1 TYR A 28 62.747 34.161 4.786 1.00 20.12 C ATOM 407 CE2 TYR A 28 61.597 36.087 5.659 1.00 20.02 C ATOM 408 CZ TYR A 28 62.772 35.392 5.429 1.00 20.60 C ATOM 409 OH TYR A 28 63.968 35.929 5.847 1.00 21.65 O ATOM 410 HA TYR A 28 58.576 32.975 6.221 1.00 0.00 H ATOM 411 HB3 TYR A 28 58.274 34.508 4.134 1.00 0.00 H ATOM 412 HB2 TYR A 28 59.127 33.241 3.221 1.00 0.00 H ATOM 413 HD2 TYR A 28 59.461 36.091 5.428 1.00 0.00 H ATOM 414 HE2 TYR A 28 61.621 37.054 6.161 1.00 0.00 H ATOM 415 HE1 TYR A 28 63.674 33.618 4.603 1.00 0.00 H ATOM 416 HD1 TYR A 28 61.509 32.659 3.872 1.00 0.00 H ATOM 417 HH TYR A 28 64.706 35.314 5.609 1.00 0.00 H ATOM 418 H TYR A 28 59.326 30.845 4.305 1.00 0.00 H ATOM 419 N CYS A 29 56.620 31.292 4.444 1.00 25.07 N ATOM 420 CA CYS A 29 55.208 31.075 4.199 1.00 26.59 C ATOM 421 C CYS A 29 54.428 30.800 5.478 1.00 30.90 C ATOM 422 O CYS A 29 54.576 29.740 6.086 1.00 32.06 O ATOM 423 CB CYS A 29 55.009 29.914 3.231 1.00 22.48 C ATOM 424 SG CYS A 29 55.742 30.179 1.589 1.00 20.38 S ATOM 425 HA CYS A 29 54.822 31.997 3.764 1.00 0.00 H ATOM 426 HB2 CYS A 29 53.938 29.753 3.106 1.00 0.00 H ATOM 427 HB3 CYS A 29 55.461 29.023 3.668 1.00 0.00 H ATOM 428 H CYS A 29 57.312 30.545 4.234 1.00 0.00 H ATOM 429 N GLY A 30 53.611 31.763 5.897 1.00 35.17 N ATOM 430 CA GLY A 30 52.793 31.558 7.081 1.00 41.76 C ATOM 431 C GLY A 30 53.216 32.187 8.394 1.00 45.42 C ATOM 432 O GLY A 30 52.366 32.495 9.230 1.00 46.24 O ATOM 433 HA3 GLY A 30 52.738 30.482 7.247 1.00 0.00 H ATOM 434 HA2 GLY A 30 51.799 31.941 6.851 1.00 0.00 H ATOM 435 H GLY A 30 53.558 32.662 5.377 1.00 0.00 H ATOM 436 N TRP A 31 54.516 32.361 8.600 1.00 49.06 N ATOM 437 CA TRP A 31 54.994 32.967 9.837 1.00 52.80 C ATOM 438 C TRP A 31 56.171 33.899 9.589 1.00 53.28 C ATOM 439 O TRP A 31 56.419 34.819 10.369 1.00 54.09 O ATOM 440 CB TRP A 31 55.387 31.886 10.847 1.00 56.69 C ATOM 441 CG TRP A 31 54.477 31.847 12.048 1.00 61.50 C ATOM 442 CD1 TRP A 31 53.128 31.607 12.052 1.00 63.14 C ATOM 443 CD2 TRP A 31 54.846 32.081 13.415 1.00 62.87 C ATOM 444 NE1 TRP A 31 52.637 31.678 13.336 1.00 64.26 N ATOM 445 CE2 TRP A 31 53.669 31.965 14.192 1.00 63.63 C ATOM 446 CE3 TRP A 31 56.057 32.373 14.060 1.00 63.31 C ATOM 447 CZ2 TRP A 31 53.666 32.139 15.583 1.00 64.07 C ATOM 448 CZ3 TRP A 31 56.054 32.546 15.445 1.00 63.79 C ATOM 449 CH2 TRP A 31 54.866 32.425 16.189 1.00 64.06 C ATOM 450 HA TRP A 31 54.176 33.560 10.246 1.00 0.00 H ATOM 451 HB2 TRP A 31 55.350 30.916 10.351 1.00 0.00 H ATOM 452 HB3 TRP A 31 56.404 32.081 11.187 1.00 0.00 H ATOM 453 HE1 TRP A 31 51.644 31.537 13.612 1.00 0.00 H ATOM 454 HD1 TRP A 31 52.530 31.391 11.167 1.00 0.00 H ATOM 455 HZ2 TRP A 31 52.747 32.051 16.162 1.00 0.00 H ATOM 456 HH2 TRP A 31 54.898 32.561 17.270 1.00 0.00 H ATOM 457 HZ3 TRP A 31 56.987 32.779 15.958 1.00 0.00 H ATOM 458 HE3 TRP A 31 56.982 32.463 13.491 1.00 0.00 H ATOM 459 H TRP A 31 55.198 32.063 7.874 1.00 0.00 H ATOM 460 N GLY A 32 56.888 33.655 8.495 1.00 52.86 N ATOM 461 CA GLY A 32 58.029 34.481 8.146 1.00 51.57 C ATOM 462 C GLY A 32 58.942 34.776 9.321 1.00 50.49 C ATOM 463 O GLY A 32 58.770 34.225 10.411 1.00 50.05 O ATOM 464 HA3 GLY A 32 57.662 35.427 7.747 1.00 0.00 H ATOM 465 HA2 GLY A 32 58.608 33.965 7.380 1.00 0.00 H ATOM 466 H GLY A 32 56.626 32.859 7.879 1.00 0.00 H ATOM 467 N GLY A 33 59.927 35.639 9.099 1.00 48.81 N ATOM 468 CA GLY A 33 60.828 35.982 10.176 1.00 47.28 C ATOM 469 C GLY A 33 62.300 36.011 9.834 1.00 46.37 C ATOM 470 O GLY A 33 62.894 37.088 9.751 1.00 46.93 O ATOM 471 HA3 GLY A 33 60.686 35.252 10.973 1.00 0.00 H ATOM 472 HA2 GLY A 33 60.551 36.972 10.538 1.00 0.00 H ATOM 473 H GLY A 33 60.049 36.064 8.158 1.00 0.00 H ATOM 474 N LYS A 34 62.894 34.838 9.632 1.00 44.49 N ATOM 475 CA LYS A 34 64.323 34.763 9.342 1.00 42.29 C ATOM 476 C LYS A 34 64.749 33.774 8.271 1.00 39.75 C ATOM 477 O LYS A 34 63.949 33.010 7.737 1.00 39.58 O ATOM 478 CB LYS A 34 65.090 34.376 10.594 1.00 43.59 C ATOM 479 CG LYS A 34 64.920 35.264 11.784 1.00 46.94 C ATOM 480 CD LYS A 34 65.961 34.839 12.781 1.00 50.90 C ATOM 481 CE LYS A 34 65.415 34.588 14.160 1.00 53.61 C ATOM 482 NZ LYS A 34 66.409 33.736 14.877 1.00 53.89 N ATOM 483 HA LYS A 34 64.549 35.762 8.970 1.00 0.00 H ATOM 484 HB2 LYS A 34 64.772 33.374 10.881 1.00 0.00 H ATOM 485 HB3 LYS A 34 66.150 34.361 10.341 1.00 0.00 H ATOM 486 HG2 LYS A 34 65.070 36.306 11.502 1.00 0.00 H ATOM 487 HG3 LYS A 34 63.922 35.143 12.206 1.00 0.00 H ATOM 488 HD2 LYS A 34 66.426 33.920 12.423 1.00 0.00 H ATOM 489 HD3 LYS A 34 66.714 35.624 12.847 1.00 0.00 H ATOM 490 HE2 LYS A 34 64.457 34.072 14.095 1.00 0.00 H ATOM 491 HE3 LYS A 34 65.282 35.533 14.688 1.00 0.00 H ATOM 492 HZ1 LYS A 34 66.532 32.841 14.362 1.00 0.00 H ATOM 493 HZ2 LYS A 34 67.320 34.236 14.928 1.00 0.00 H ATOM 494 HZ3 LYS A 34 66.066 33.540 15.839 1.00 0.00 H ATOM 495 H LYS A 34 62.333 33.963 9.681 1.00 0.00 H ATOM 496 N GLY A 35 66.048 33.797 7.989 1.00 36.95 N ATOM 497 CA GLY A 35 66.633 32.884 7.032 1.00 33.25 C ATOM 498 C GLY A 35 66.686 33.288 5.574 1.00 31.00 C ATOM 499 O GLY A 35 66.399 34.425 5.194 1.00 28.98 O ATOM 500 HA3 GLY A 35 66.065 31.955 7.087 1.00 0.00 H ATOM 501 HA2 GLY A 35 67.659 32.700 7.351 1.00 0.00 H ATOM 502 H GLY A 35 66.659 34.489 8.469 1.00 0.00 H ATOM 503 N THR A 36 67.074 32.309 4.764 1.00 29.82 N ATOM 504 CA THR A 36 67.191 32.446 3.324 1.00 28.49 C ATOM 505 C THR A 36 66.039 31.661 2.706 1.00 28.14 C ATOM 506 O THR A 36 65.886 30.465 2.957 1.00 27.72 O ATOM 507 CB THR A 36 68.510 31.836 2.823 1.00 28.24 C ATOM 508 OG1 THR A 36 69.601 32.365 3.587 1.00 27.88 O ATOM 509 CG2 THR A 36 68.716 32.151 1.349 1.00 27.31 C ATOM 510 HA THR A 36 67.168 33.501 3.050 1.00 0.00 H ATOM 511 HB THR A 36 68.467 30.754 2.945 1.00 0.00 H ATOM 512 HG1 THR A 36 70.450 31.972 3.264 1.00 0.00 H ATOM 513 HG23 THR A 36 67.884 31.747 0.773 1.00 0.00 H ATOM 514 HG21 THR A 36 68.763 33.231 1.213 1.00 0.00 H ATOM 515 HG22 THR A 36 69.648 31.700 1.009 1.00 0.00 H ATOM 516 H THR A 36 67.308 31.388 5.188 1.00 0.00 H ATOM 517 N PRO A 37 65.210 32.318 1.889 1.00 27.79 N ATOM 518 CA PRO A 37 64.098 31.578 1.287 1.00 27.07 C ATOM 519 C PRO A 37 64.620 30.333 0.586 1.00 25.84 C ATOM 520 O PRO A 37 65.476 30.418 -0.293 1.00 25.86 O ATOM 521 CB PRO A 37 63.494 32.594 0.325 1.00 28.44 C ATOM 522 CG PRO A 37 63.777 33.910 1.022 1.00 28.54 C ATOM 523 CD PRO A 37 65.210 33.722 1.445 1.00 27.29 C ATOM 524 HA PRO A 37 63.360 31.209 1.999 1.00 0.00 H ATOM 525 HD3 PRO A 37 65.894 33.875 0.610 1.00 0.00 H ATOM 526 HD2 PRO A 37 65.476 34.396 2.259 1.00 0.00 H ATOM 527 HG3 PRO A 37 63.123 34.054 1.882 1.00 0.00 H ATOM 528 HG2 PRO A 37 63.670 34.754 0.340 1.00 0.00 H ATOM 529 HB2 PRO A 37 63.979 32.551 -0.650 1.00 0.00 H ATOM 530 HB3 PRO A 37 62.423 32.434 0.203 1.00 0.00 H ATOM 531 N LYS A 38 64.095 29.180 0.980 1.00 25.32 N ATOM 532 CA LYS A 38 64.523 27.903 0.419 1.00 23.29 C ATOM 533 C LYS A 38 64.304 27.717 -1.081 1.00 21.57 C ATOM 534 O LYS A 38 65.119 27.068 -1.737 1.00 22.77 O ATOM 535 CB LYS A 38 63.856 26.762 1.184 1.00 23.76 C ATOM 536 CG LYS A 38 64.018 26.876 2.698 1.00 24.96 C ATOM 537 CD LYS A 38 65.483 27.035 3.094 1.00 25.82 C ATOM 538 CE LYS A 38 66.299 25.788 2.773 1.00 27.55 C ATOM 539 NZ LYS A 38 67.762 25.991 3.004 1.00 27.83 N ATOM 540 HA LYS A 38 65.606 27.895 0.539 1.00 0.00 H ATOM 541 HB2 LYS A 38 62.792 26.762 0.948 1.00 0.00 H ATOM 542 HB3 LYS A 38 64.299 25.821 0.858 1.00 0.00 H ATOM 543 HG2 LYS A 38 63.460 27.744 3.050 1.00 0.00 H ATOM 544 HG3 LYS A 38 63.620 25.975 3.166 1.00 0.00 H ATOM 545 HD2 LYS A 38 65.905 27.881 2.552 1.00 0.00 H ATOM 546 HD3 LYS A 38 65.540 27.227 4.165 1.00 0.00 H ATOM 547 HE2 LYS A 38 66.142 25.526 1.727 1.00 0.00 H ATOM 548 HE3 LYS A 38 65.954 24.971 3.406 1.00 0.00 H ATOM 549 HZ1 LYS A 38 68.103 26.764 2.398 1.00 0.00 H ATOM 550 HZ2 LYS A 38 67.924 26.234 4.002 1.00 0.00 H ATOM 551 HZ3 LYS A 38 68.273 25.116 2.772 1.00 0.00 H ATOM 552 H LYS A 38 63.356 29.187 1.711 1.00 0.00 H ATOM 553 N ASP A 39 63.223 28.266 -1.630 1.00 20.39 N ATOM 554 CA ASP A 39 62.962 28.122 -3.060 1.00 19.99 C ATOM 555 C ASP A 39 62.039 29.205 -3.641 1.00 19.96 C ATOM 556 O ASP A 39 61.666 30.152 -2.944 1.00 20.22 O ATOM 557 CB ASP A 39 62.416 26.713 -3.346 1.00 19.24 C ATOM 558 CG ASP A 39 61.015 26.481 -2.804 1.00 20.50 C ATOM 559 OD1 ASP A 39 60.631 27.120 -1.805 1.00 22.29 O ATOM 560 OD2 ASP A 39 60.304 25.634 -3.391 1.00 21.49 O ATOM 561 HA ASP A 39 63.916 28.261 -3.569 1.00 0.00 H ATOM 562 HB2 ASP A 39 62.397 26.563 -4.425 1.00 0.00 H ATOM 563 HB3 ASP A 39 63.087 25.984 -2.891 1.00 0.00 H ATOM 564 H ASP A 39 62.559 28.802 -1.036 1.00 0.00 H ATOM 565 N ALA A 40 61.690 29.084 -4.921 1.00 19.54 N ATOM 566 CA ALA A 40 60.822 30.067 -5.572 1.00 17.93 C ATOM 567 C ALA A 40 59.535 30.309 -4.779 1.00 17.68 C ATOM 568 O ALA A 40 59.145 31.459 -4.559 1.00 19.55 O ATOM 569 CB ALA A 40 60.486 29.612 -6.994 1.00 14.73 C ATOM 570 HA ALA A 40 61.366 31.011 -5.611 1.00 0.00 H ATOM 571 HB1 ALA A 40 61.407 29.511 -7.569 1.00 0.00 H ATOM 572 HB2 ALA A 40 59.973 28.651 -6.955 1.00 0.00 H ATOM 573 HB3 ALA A 40 59.840 30.351 -7.468 1.00 0.00 H ATOM 574 H ALA A 40 62.042 28.274 -5.470 1.00 0.00 H ATOM 575 N THR A 41 58.875 29.234 -4.356 1.00 15.35 N ATOM 576 CA THR A 41 57.640 29.376 -3.595 1.00 15.00 C ATOM 577 C THR A 41 57.915 30.149 -2.315 1.00 15.77 C ATOM 578 O THR A 41 57.133 31.013 -1.904 1.00 13.45 O ATOM 579 CB THR A 41 57.041 28.006 -3.225 1.00 14.58 C ATOM 580 OG1 THR A 41 56.502 27.396 -4.402 1.00 16.46 O ATOM 581 CG2 THR A 41 55.935 28.159 -2.190 1.00 11.96 C ATOM 582 HA THR A 41 56.926 29.911 -4.221 1.00 0.00 H ATOM 583 HB THR A 41 57.830 27.384 -2.802 1.00 0.00 H ATOM 584 HG1 THR A 41 55.795 27.978 -4.780 1.00 0.00 H ATOM 585 HG23 THR A 41 56.342 28.623 -1.292 1.00 0.00 H ATOM 586 HG21 THR A 41 55.142 28.786 -2.598 1.00 0.00 H ATOM 587 HG22 THR A 41 55.532 27.177 -1.942 1.00 0.00 H ATOM 588 H THR A 41 59.243 28.285 -4.570 1.00 0.00 H ATOM 589 N ASP A 42 59.038 29.834 -1.686 1.00 16.01 N ATOM 590 CA ASP A 42 59.399 30.497 -0.456 1.00 17.15 C ATOM 591 C ASP A 42 59.693 31.951 -0.788 1.00 18.04 C ATOM 592 O ASP A 42 59.316 32.857 -0.034 1.00 18.78 O ATOM 593 CB ASP A 42 60.615 29.807 0.178 1.00 16.90 C ATOM 594 CG ASP A 42 60.693 30.021 1.690 1.00 17.14 C ATOM 595 OD1 ASP A 42 59.656 30.351 2.314 1.00 15.25 O ATOM 596 OD2 ASP A 42 61.791 29.841 2.257 1.00 16.88 O ATOM 597 HA ASP A 42 58.587 30.444 0.270 1.00 0.00 H ATOM 598 HB2 ASP A 42 60.552 28.737 -0.020 1.00 0.00 H ATOM 599 HB3 ASP A 42 61.520 30.207 -0.278 1.00 0.00 H ATOM 600 H ASP A 42 59.664 29.104 -2.082 1.00 0.00 H ATOM 601 N ARG A 43 60.339 32.181 -1.930 1.00 18.32 N ATOM 602 CA ARG A 43 60.658 33.549 -2.329 1.00 19.48 C ATOM 603 C ARG A 43 59.375 34.366 -2.471 1.00 17.61 C ATOM 604 O ARG A 43 59.322 35.528 -2.074 1.00 17.21 O ATOM 605 CB ARG A 43 61.484 33.572 -3.630 1.00 20.55 C ATOM 606 CG ARG A 43 62.987 33.347 -3.393 1.00 21.75 C ATOM 607 CD ARG A 43 63.870 33.818 -4.561 1.00 24.14 C ATOM 608 NE ARG A 43 63.863 32.918 -5.716 1.00 26.51 N ATOM 609 CZ ARG A 43 64.442 31.717 -5.748 1.00 27.78 C ATOM 610 NH1 ARG A 43 65.087 31.250 -4.683 1.00 27.82 N ATOM 611 NH2 ARG A 43 64.380 30.978 -6.850 1.00 26.58 N ATOM 612 HA ARG A 43 61.271 34.003 -1.550 1.00 0.00 H ATOM 613 HB2 ARG A 43 61.115 32.787 -4.290 1.00 0.00 H ATOM 614 HB3 ARG A 43 61.349 34.541 -4.110 1.00 0.00 H ATOM 615 HG2 ARG A 43 63.281 33.893 -2.496 1.00 0.00 H ATOM 616 HG3 ARG A 43 63.157 32.281 -3.240 1.00 0.00 H ATOM 617 HD2 ARG A 43 64.895 33.906 -4.202 1.00 0.00 H ATOM 618 HD3 ARG A 43 63.515 34.796 -4.886 1.00 0.00 H ATOM 619 HE ARG A 43 63.371 33.239 -6.574 1.00 0.00 H ATOM 620 HH12 ARG A 43 65.536 30.312 -4.717 1.00 0.00 H ATOM 621 HH11 ARG A 43 65.143 31.822 -3.816 1.00 0.00 H ATOM 622 HH22 ARG A 43 64.832 30.042 -6.874 1.00 0.00 H ATOM 623 HH21 ARG A 43 63.880 31.336 -7.689 1.00 0.00 H ATOM 624 H ARG A 43 60.617 31.385 -2.539 1.00 0.00 H ATOM 625 N CYS A 44 58.337 33.750 -3.017 1.00 15.95 N ATOM 626 CA CYS A 44 57.060 34.427 -3.159 1.00 15.78 C ATOM 627 C CYS A 44 56.605 34.932 -1.782 1.00 16.54 C ATOM 628 O CYS A 44 56.165 36.071 -1.638 1.00 17.23 O ATOM 629 CB CYS A 44 56.007 33.462 -3.702 1.00 15.55 C ATOM 630 SG CYS A 44 56.299 32.772 -5.363 1.00 16.34 S ATOM 631 HA CYS A 44 57.175 35.261 -3.852 1.00 0.00 H ATOM 632 HB2 CYS A 44 55.056 33.993 -3.728 1.00 0.00 H ATOM 633 HB3 CYS A 44 55.936 32.626 -3.006 1.00 0.00 H ATOM 634 H CYS A 44 58.438 32.769 -3.348 1.00 0.00 H ATOM 635 N CYS A 45 56.709 34.078 -0.767 1.00 16.96 N ATOM 636 CA CYS A 45 56.291 34.459 0.573 1.00 17.79 C ATOM 637 C CYS A 45 57.166 35.585 1.139 1.00 18.59 C ATOM 638 O CYS A 45 56.653 36.541 1.733 1.00 17.62 O ATOM 639 CB CYS A 45 56.284 33.226 1.499 1.00 17.46 C ATOM 640 SG CYS A 45 55.021 31.995 1.012 1.00 17.41 S ATOM 641 HA CYS A 45 55.275 34.849 0.516 1.00 0.00 H ATOM 642 HB2 CYS A 45 56.079 33.554 2.518 1.00 0.00 H ATOM 643 HB3 CYS A 45 57.266 32.754 1.462 1.00 0.00 H ATOM 644 H CYS A 45 57.094 33.126 -0.934 1.00 0.00 H ATOM 645 N PHE A 46 58.480 35.489 0.940 1.00 17.78 N ATOM 646 CA PHE A 46 59.382 36.528 1.431 1.00 17.01 C ATOM 647 C PHE A 46 58.950 37.884 0.880 1.00 16.27 C ATOM 648 O PHE A 46 58.818 38.854 1.628 1.00 16.21 O ATOM 649 CB PHE A 46 60.820 36.257 0.991 1.00 18.26 C ATOM 650 CG PHE A 46 61.779 37.340 1.392 1.00 17.63 C ATOM 651 CD1 PHE A 46 62.157 37.494 2.721 1.00 17.46 C ATOM 652 CD2 PHE A 46 62.276 38.227 0.448 1.00 16.90 C ATOM 653 CE1 PHE A 46 63.016 38.523 3.108 1.00 17.07 C ATOM 654 CE2 PHE A 46 63.136 39.262 0.823 1.00 17.69 C ATOM 655 CZ PHE A 46 63.507 39.408 2.155 1.00 16.90 C ATOM 656 HA PHE A 46 59.337 36.528 2.520 1.00 0.00 H ATOM 657 HB2 PHE A 46 61.149 35.320 1.440 1.00 0.00 H ATOM 658 HB3 PHE A 46 60.838 36.164 -0.095 1.00 0.00 H ATOM 659 HD2 PHE A 46 61.992 38.115 -0.598 1.00 0.00 H ATOM 660 HE2 PHE A 46 63.516 39.955 0.072 1.00 0.00 H ATOM 661 HZ PHE A 46 64.180 40.213 2.451 1.00 0.00 H ATOM 662 HE1 PHE A 46 63.301 38.633 4.154 1.00 0.00 H ATOM 663 HD1 PHE A 46 61.777 36.801 3.471 1.00 0.00 H ATOM 664 H PHE A 46 58.866 34.668 0.431 1.00 0.00 H ATOM 665 N VAL A 47 58.744 37.949 -0.433 1.00 13.49 N ATOM 666 CA VAL A 47 58.318 39.190 -1.053 1.00 12.32 C ATOM 667 C VAL A 47 56.986 39.593 -0.452 1.00 13.30 C ATOM 668 O VAL A 47 56.804 40.741 -0.040 1.00 14.01 O ATOM 669 CB VAL A 47 58.133 39.056 -2.586 1.00 11.22 C ATOM 670 CG1 VAL A 47 57.549 40.338 -3.146 1.00 9.01 C ATOM 671 CG2 VAL A 47 59.463 38.773 -3.258 1.00 8.51 C ATOM 672 HA VAL A 47 59.094 39.934 -0.871 1.00 0.00 H ATOM 673 HB VAL A 47 57.453 38.227 -2.782 1.00 0.00 H ATOM 674 HG11 VAL A 47 56.582 40.529 -2.681 1.00 0.00 H ATOM 675 HG12 VAL A 47 58.225 41.166 -2.935 1.00 0.00 H ATOM 676 HG13 VAL A 47 57.421 40.237 -4.224 1.00 0.00 H ATOM 677 HG21 VAL A 47 60.153 39.592 -3.054 1.00 0.00 H ATOM 678 HG22 VAL A 47 59.875 37.843 -2.867 1.00 0.00 H ATOM 679 HG23 VAL A 47 59.313 38.682 -4.334 1.00 0.00 H ATOM 680 H VAL A 47 58.890 37.103 -1.020 1.00 0.00 H ATOM 681 N HIS A 48 56.059 38.641 -0.388 1.00 13.55 N ATOM 682 CA HIS A 48 54.731 38.918 0.154 1.00 13.57 C ATOM 683 C HIS A 48 54.801 39.497 1.569 1.00 13.47 C ATOM 684 O HIS A 48 54.056 40.420 1.888 1.00 14.33 O ATOM 685 CB HIS A 48 53.863 37.649 0.128 1.00 12.53 C ATOM 686 CG HIS A 48 52.421 37.894 0.456 1.00 11.07 C ATOM 687 ND1 HIS A 48 51.849 37.497 1.646 1.00 12.01 N ATOM 688 CD2 HIS A 48 51.439 38.513 -0.241 1.00 11.40 C ATOM 689 CE1 HIS A 48 50.579 37.860 1.669 1.00 9.84 C ATOM 690 NE2 HIS A 48 50.305 38.479 0.535 1.00 11.21 N ATOM 691 HA HIS A 48 54.268 39.673 -0.482 1.00 0.00 H ATOM 692 HB2 HIS A 48 53.919 37.214 -0.870 1.00 0.00 H ATOM 693 HB3 HIS A 48 54.265 36.942 0.854 1.00 0.00 H ATOM 694 HD2 HIS A 48 51.531 38.956 -1.233 1.00 0.00 H ATOM 695 HE1 HIS A 48 49.878 37.680 2.484 1.00 0.00 H ATOM 696 H HIS A 48 56.283 37.684 -0.729 1.00 0.00 H ATOM 697 N ASP A 49 55.687 38.969 2.414 1.00 12.54 N ATOM 698 CA ASP A 49 55.813 39.501 3.768 1.00 12.71 C ATOM 699 C ASP A 49 56.283 40.949 3.637 1.00 13.56 C ATOM 700 O ASP A 49 55.785 41.847 4.322 1.00 13.35 O ATOM 701 CB ASP A 49 56.839 38.705 4.595 1.00 13.37 C ATOM 702 CG ASP A 49 56.301 37.357 5.093 1.00 13.65 C ATOM 703 OD1 ASP A 49 55.151 37.000 4.773 1.00 16.58 O ATOM 704 OD2 ASP A 49 57.037 36.644 5.811 1.00 11.42 O ATOM 705 HA ASP A 49 54.854 39.429 4.282 1.00 0.00 H ATOM 706 HB2 ASP A 49 57.716 38.520 3.974 1.00 0.00 H ATOM 707 HB3 ASP A 49 57.127 39.304 5.459 1.00 0.00 H ATOM 708 H ASP A 49 56.289 38.178 2.109 1.00 0.00 H ATOM 709 N CYS A 50 57.239 41.166 2.740 1.00 14.12 N ATOM 710 CA CYS A 50 57.790 42.494 2.502 1.00 15.32 C ATOM 711 C CYS A 50 56.714 43.460 2.044 1.00 14.27 C ATOM 712 O CYS A 50 56.661 44.610 2.472 1.00 14.29 O ATOM 713 CB CYS A 50 58.871 42.441 1.423 1.00 18.35 C ATOM 714 SG CYS A 50 60.447 41.666 1.888 1.00 23.46 S ATOM 715 HA CYS A 50 58.214 42.839 3.445 1.00 0.00 H ATOM 716 HB2 CYS A 50 59.083 43.465 1.117 1.00 0.00 H ATOM 717 HB3 CYS A 50 58.467 41.886 0.576 1.00 0.00 H ATOM 718 H CYS A 50 57.606 40.363 2.190 1.00 0.00 H ATOM 719 N CYS A 51 55.868 42.988 1.142 1.00 13.82 N ATOM 720 CA CYS A 51 54.800 43.815 0.619 1.00 13.49 C ATOM 721 C CYS A 51 53.981 44.312 1.796 1.00 13.58 C ATOM 722 O CYS A 51 53.817 45.521 1.987 1.00 13.11 O ATOM 723 CB CYS A 51 53.939 42.994 -0.321 1.00 12.31 C ATOM 724 SG CYS A 51 52.959 43.970 -1.490 1.00 9.78 S ATOM 725 HA CYS A 51 55.200 44.662 0.061 1.00 0.00 H ATOM 726 HB2 CYS A 51 53.255 42.395 0.280 1.00 0.00 H ATOM 727 HB3 CYS A 51 54.592 42.334 -0.892 1.00 0.00 H ATOM 728 H CYS A 51 55.972 42.010 0.804 1.00 0.00 H ATOM 729 N TYR A 52 53.480 43.373 2.592 1.00 13.65 N ATOM 730 CA TYR A 52 52.706 43.723 3.778 1.00 14.93 C ATOM 731 C TYR A 52 53.518 44.710 4.602 1.00 14.68 C ATOM 732 O TYR A 52 52.972 45.618 5.224 1.00 13.06 O ATOM 733 CB TYR A 52 52.413 42.470 4.612 1.00 14.96 C ATOM 734 CG TYR A 52 51.211 41.670 4.146 1.00 14.77 C ATOM 735 CD1 TYR A 52 50.656 41.872 2.878 1.00 15.46 C ATOM 736 CD2 TYR A 52 50.649 40.684 4.960 1.00 15.00 C ATOM 737 CE1 TYR A 52 49.573 41.111 2.432 1.00 15.30 C ATOM 738 CE2 TYR A 52 49.566 39.914 4.523 1.00 15.45 C ATOM 739 CZ TYR A 52 49.035 40.135 3.258 1.00 15.71 C ATOM 740 OH TYR A 52 47.970 39.378 2.823 1.00 16.01 O ATOM 741 HA TYR A 52 51.756 44.167 3.481 1.00 0.00 H ATOM 742 HB3 TYR A 52 52.237 42.780 5.642 1.00 0.00 H ATOM 743 HB2 TYR A 52 53.289 41.822 4.573 1.00 0.00 H ATOM 744 HD2 TYR A 52 51.062 40.511 5.954 1.00 0.00 H ATOM 745 HE2 TYR A 52 49.142 39.146 5.170 1.00 0.00 H ATOM 746 HE1 TYR A 52 49.153 41.283 1.441 1.00 0.00 H ATOM 747 HD1 TYR A 52 51.076 42.638 2.226 1.00 0.00 H ATOM 748 HH TYR A 52 47.717 39.661 1.909 1.00 0.00 H ATOM 749 H TYR A 52 53.643 42.371 2.365 1.00 0.00 H ATOM 750 N GLY A 53 54.832 44.519 4.584 1.00 16.13 N ATOM 751 CA GLY A 53 55.731 45.387 5.320 1.00 17.91 C ATOM 752 C GLY A 53 55.620 46.853 4.945 1.00 19.74 C ATOM 753 O GLY A 53 55.809 47.711 5.803 1.00 21.27 O ATOM 754 HA3 GLY A 53 56.754 45.061 5.131 1.00 0.00 H ATOM 755 HA2 GLY A 53 55.510 45.287 6.383 1.00 0.00 H ATOM 756 H GLY A 53 55.225 43.731 4.031 1.00 0.00 H ATOM 757 N ASN A 54 55.319 47.151 3.681 1.00 20.10 N ATOM 758 CA ASN A 54 55.191 48.543 3.243 1.00 21.34 C ATOM 759 C ASN A 54 53.895 49.182 3.725 1.00 20.96 C ATOM 760 O ASN A 54 53.597 50.322 3.378 1.00 21.81 O ATOM 761 CB ASN A 54 55.226 48.652 1.712 1.00 24.30 C ATOM 762 CG ASN A 54 56.562 48.248 1.120 1.00 27.26 C ATOM 763 OD1 ASN A 54 57.618 48.529 1.688 1.00 27.91 O ATOM 764 ND2 ASN A 54 56.524 47.602 -0.043 1.00 28.35 N ATOM 765 HA ASN A 54 56.039 49.070 3.680 1.00 0.00 H ATOM 766 HB2 ASN A 54 54.453 48.004 1.300 1.00 0.00 H ATOM 767 HB3 ASN A 54 55.020 49.685 1.432 1.00 0.00 H ATOM 768 HD22 ASN A 54 55.609 47.385 -0.488 1.00 0.00 H ATOM 769 HD21 ASN A 54 57.409 47.314 -0.507 1.00 0.00 H ATOM 770 H ASN A 54 55.173 46.383 2.995 1.00 0.00 H ATOM 771 N LEU A 55 53.122 48.456 4.522 1.00 20.59 N ATOM 772 CA LEU A 55 51.848 48.977 5.002 1.00 19.97 C ATOM 773 C LEU A 55 51.723 48.890 6.518 1.00 20.92 C ATOM 774 O LEU A 55 50.809 48.251 7.046 1.00 20.73 O ATOM 775 CB LEU A 55 50.714 48.205 4.334 1.00 17.75 C ATOM 776 CG LEU A 55 50.965 48.047 2.833 1.00 15.77 C ATOM 777 CD1 LEU A 55 49.969 47.073 2.231 1.00 13.82 C ATOM 778 CD2 LEU A 55 50.893 49.419 2.166 1.00 14.49 C ATOM 779 HA LEU A 55 51.792 50.034 4.740 1.00 0.00 H ATOM 780 HB2 LEU A 55 50.639 47.217 4.789 1.00 0.00 H ATOM 781 HB3 LEU A 55 49.779 48.744 4.484 1.00 0.00 H ATOM 782 HG LEU A 55 51.960 47.634 2.664 1.00 0.00 H ATOM 783 HD21 LEU A 55 49.905 49.850 2.329 1.00 0.00 H ATOM 784 HD22 LEU A 55 51.651 50.072 2.598 1.00 0.00 H ATOM 785 HD23 LEU A 55 51.071 49.311 1.096 1.00 0.00 H ATOM 786 HD11 LEU A 55 50.075 46.102 2.714 1.00 0.00 H ATOM 787 HD12 LEU A 55 48.957 47.448 2.385 1.00 0.00 H ATOM 788 HD13 LEU A 55 50.162 46.972 1.163 1.00 0.00 H ATOM 789 H LEU A 55 53.428 47.504 4.808 1.00 0.00 H ATOM 790 N PRO A 56 52.632 49.558 7.239 1.00 21.77 N ATOM 791 CA PRO A 56 52.621 49.549 8.705 1.00 22.23 C ATOM 792 C PRO A 56 51.277 49.936 9.309 1.00 21.71 C ATOM 793 O PRO A 56 50.861 49.371 10.315 1.00 22.26 O ATOM 794 CB PRO A 56 53.723 50.543 9.065 1.00 22.27 C ATOM 795 CG PRO A 56 53.675 51.520 7.915 1.00 23.86 C ATOM 796 CD PRO A 56 53.550 50.591 6.728 1.00 22.55 C ATOM 797 HA PRO A 56 52.789 48.550 9.108 1.00 0.00 H ATOM 798 HD3 PRO A 56 53.126 51.106 5.866 1.00 0.00 H ATOM 799 HD2 PRO A 56 54.515 50.164 6.456 1.00 0.00 H ATOM 800 HG3 PRO A 56 54.587 52.115 7.860 1.00 0.00 H ATOM 801 HG2 PRO A 56 52.814 52.184 7.993 1.00 0.00 H ATOM 802 HB2 PRO A 56 53.512 51.039 10.012 1.00 0.00 H ATOM 803 HB3 PRO A 56 54.694 50.051 9.123 1.00 0.00 H ATOM 804 N ASP A 59 50.596 50.893 8.690 1.00 21.39 N ATOM 805 CA ASP A 59 49.313 51.350 9.203 1.00 22.08 C ATOM 806 C ASP A 59 48.079 50.684 8.593 1.00 21.13 C ATOM 807 O ASP A 59 46.999 51.275 8.543 1.00 20.86 O ATOM 808 CB ASP A 59 49.227 52.869 9.064 1.00 23.28 C ATOM 809 CG ASP A 59 50.157 53.589 10.027 1.00 24.25 C ATOM 810 OD1 ASP A 59 50.240 54.832 9.967 1.00 26.94 O ATOM 811 OD2 ASP A 59 50.802 52.910 10.851 1.00 23.90 O ATOM 812 HA ASP A 59 49.290 51.046 10.249 1.00 0.00 H ATOM 813 HB2 ASP A 59 49.496 53.144 8.044 1.00 0.00 H ATOM 814 HB3 ASP A 59 48.203 53.182 9.265 1.00 0.00 H ATOM 815 H ASP A 59 50.985 51.322 7.826 1.00 0.00 H ATOM 816 N CYS A 61 48.246 49.446 8.142 1.00 19.79 N ATOM 817 CA CYS A 61 47.153 48.683 7.564 1.00 18.64 C ATOM 818 C CYS A 61 46.992 47.391 8.360 1.00 19.33 C ATOM 819 O CYS A 61 47.765 47.116 9.272 1.00 20.06 O ATOM 820 CB CYS A 61 47.440 48.342 6.105 1.00 18.24 C ATOM 821 SG CYS A 61 47.502 49.754 4.955 1.00 16.31 S ATOM 822 HA CYS A 61 46.241 49.278 7.604 1.00 0.00 H ATOM 823 HB2 CYS A 61 46.659 47.664 5.760 1.00 0.00 H ATOM 824 HB3 CYS A 61 48.404 47.835 6.064 1.00 0.00 H ATOM 825 H CYS A 61 49.188 49.009 8.204 1.00 0.00 H ATOM 826 N ASN A 67 45.993 46.594 8.009 1.00 19.71 N ATOM 827 CA ASN A 67 45.737 45.345 8.711 1.00 19.72 C ATOM 828 C ASN A 67 45.346 44.265 7.699 1.00 20.75 C ATOM 829 O ASN A 67 44.168 43.932 7.542 1.00 18.88 O ATOM 830 CB ASN A 67 44.627 45.562 9.743 1.00 18.79 C ATOM 831 CG ASN A 67 45.051 46.497 10.871 1.00 17.42 C ATOM 832 OD1 ASN A 67 45.718 46.085 11.820 1.00 19.14 O ATOM 833 ND2 ASN A 67 44.673 47.764 10.763 1.00 17.04 N ATOM 834 HA ASN A 67 46.635 45.017 9.235 1.00 0.00 H ATOM 835 HB2 ASN A 67 43.761 45.992 9.240 1.00 0.00 H ATOM 836 HB3 ASN A 67 44.355 44.598 10.172 1.00 0.00 H ATOM 837 HD22 ASN A 67 44.110 48.071 9.944 1.00 0.00 H ATOM 838 HD21 ASN A 67 44.940 48.451 11.497 1.00 0.00 H ATOM 839 H ASN A 67 45.379 46.867 7.215 1.00 0.00 H ATOM 840 N PRO A 68 46.354 43.696 7.012 1.00 22.07 N ATOM 841 CA PRO A 68 46.281 42.653 5.983 1.00 22.35 C ATOM 842 C PRO A 68 45.529 41.394 6.380 1.00 22.91 C ATOM 843 O PRO A 68 44.736 40.865 5.601 1.00 24.31 O ATOM 844 CB PRO A 68 47.747 42.354 5.690 1.00 23.10 C ATOM 845 CG PRO A 68 48.441 43.637 6.024 1.00 23.02 C ATOM 846 CD PRO A 68 47.761 44.027 7.303 1.00 22.16 C ATOM 847 HA PRO A 68 45.706 43.002 5.125 1.00 0.00 H ATOM 848 HD3 PRO A 68 48.139 43.448 8.146 1.00 0.00 H ATOM 849 HD2 PRO A 68 47.884 45.090 7.510 1.00 0.00 H ATOM 850 HG3 PRO A 68 48.287 44.386 5.247 1.00 0.00 H ATOM 851 HG2 PRO A 68 49.510 43.484 6.173 1.00 0.00 H ATOM 852 HB2 PRO A 68 48.111 41.540 6.316 1.00 0.00 H ATOM 853 HB3 PRO A 68 47.890 42.096 4.641 1.00 0.00 H ATOM 854 N LYS A 69 45.790 40.910 7.587 1.00 22.77 N ATOM 855 CA LYS A 69 45.141 39.700 8.074 1.00 22.97 C ATOM 856 C LYS A 69 43.626 39.816 8.199 1.00 21.96 C ATOM 857 O LYS A 69 42.916 38.855 7.924 1.00 22.36 O ATOM 858 CB LYS A 69 45.695 39.311 9.443 1.00 23.82 C ATOM 859 CG LYS A 69 47.147 38.890 9.480 1.00 27.96 C ATOM 860 CD LYS A 69 47.599 38.799 10.942 1.00 34.17 C ATOM 861 CE LYS A 69 48.971 38.151 11.098 1.00 36.21 C ATOM 862 NZ LYS A 69 48.940 36.690 10.787 1.00 37.63 N ATOM 863 HA LYS A 69 45.357 38.940 7.323 1.00 0.00 H ATOM 864 HB2 LYS A 69 45.580 40.169 10.105 1.00 0.00 H ATOM 865 HB3 LYS A 69 45.098 38.481 9.820 1.00 0.00 H ATOM 866 HG2 LYS A 69 47.259 37.917 9.001 1.00 0.00 H ATOM 867 HG3 LYS A 69 47.755 39.625 8.953 1.00 0.00 H ATOM 868 HD2 LYS A 69 47.640 39.806 11.357 1.00 0.00 H ATOM 869 HD3 LYS A 69 46.870 38.208 11.496 1.00 0.00 H ATOM 870 HE2 LYS A 69 49.309 38.285 12.126 1.00 0.00 H ATOM 871 HE3 LYS A 69 49.670 38.640 10.420 1.00 0.00 H ATOM 872 HZ1 LYS A 69 48.280 36.213 11.434 1.00 0.00 H ATOM 873 HZ2 LYS A 69 48.625 36.552 9.805 1.00 0.00 H ATOM 874 HZ3 LYS A 69 49.893 36.291 10.906 1.00 0.00 H ATOM 875 H LYS A 69 46.471 41.404 8.198 1.00 0.00 H ATOM 876 N SER A 70 43.131 40.985 8.601 1.00 20.58 N ATOM 877 CA SER A 70 41.698 41.150 8.818 1.00 20.55 C ATOM 878 C SER A 70 40.908 42.114 7.942 1.00 19.70 C ATOM 879 O SER A 70 39.687 41.994 7.849 1.00 19.99 O ATOM 880 CB SER A 70 41.448 41.523 10.278 1.00 22.28 C ATOM 881 OG SER A 70 41.959 42.812 10.565 1.00 25.64 O ATOM 882 HA SER A 70 41.314 40.174 8.521 1.00 0.00 H ATOM 883 HB2 SER A 70 41.938 40.793 10.922 1.00 0.00 H ATOM 884 HB3 SER A 70 40.375 41.513 10.470 1.00 0.00 H ATOM 885 HG SER A 70 41.785 43.031 11.515 1.00 0.00 H ATOM 886 H SER A 70 43.772 41.788 8.762 1.00 0.00 H ATOM 887 N ASP A 71 41.565 43.082 7.319 1.00 18.38 N ATOM 888 CA ASP A 71 40.822 44.009 6.475 1.00 16.56 C ATOM 889 C ASP A 71 40.438 43.294 5.190 1.00 17.63 C ATOM 890 O ASP A 71 41.303 42.819 4.463 1.00 17.31 O ATOM 891 CB ASP A 71 41.660 45.241 6.141 1.00 14.94 C ATOM 892 CG ASP A 71 40.846 46.329 5.477 1.00 13.22 C ATOM 893 OD1 ASP A 71 39.814 46.001 4.858 1.00 15.62 O ATOM 894 OD2 ASP A 71 41.234 47.510 5.559 1.00 11.88 O ATOM 895 HA ASP A 71 39.932 44.340 7.011 1.00 0.00 H ATOM 896 HB2 ASP A 71 42.086 45.636 7.063 1.00 0.00 H ATOM 897 HB3 ASP A 71 42.465 44.945 5.468 1.00 0.00 H ATOM 898 H ASP A 71 42.594 43.178 7.431 1.00 0.00 H ATOM 899 N ARG A 72 39.139 43.218 4.913 1.00 19.96 N ATOM 900 CA ARG A 72 38.657 42.553 3.705 1.00 21.49 C ATOM 901 C ARG A 72 38.620 43.476 2.501 1.00 20.50 C ATOM 902 O ARG A 72 38.375 44.678 2.623 1.00 19.43 O ATOM 903 CB ARG A 72 37.244 41.994 3.905 1.00 23.74 C ATOM 904 CG ARG A 72 37.105 40.940 4.988 1.00 28.04 C ATOM 905 CD ARG A 72 35.744 40.275 4.898 1.00 30.25 C ATOM 906 NE ARG A 72 35.520 39.334 5.987 1.00 35.02 N ATOM 907 CZ ARG A 72 34.371 38.698 6.196 1.00 37.09 C ATOM 908 NH1 ARG A 72 34.251 37.855 7.219 1.00 36.70 N ATOM 909 NH2 ARG A 72 33.342 38.902 5.381 1.00 35.10 N ATOM 910 HA ARG A 72 39.367 41.748 3.516 1.00 0.00 H ATOM 911 HB2 ARG A 72 36.587 42.825 4.159 1.00 0.00 H ATOM 912 HB3 ARG A 72 36.921 41.552 2.962 1.00 0.00 H ATOM 913 HG2 ARG A 72 37.883 40.187 4.861 1.00 0.00 H ATOM 914 HG3 ARG A 72 37.213 41.411 5.965 1.00 0.00 H ATOM 915 HD2 ARG A 72 35.676 39.740 3.951 1.00 0.00 H ATOM 916 HD3 ARG A 72 34.973 41.045 4.934 1.00 0.00 H ATOM 917 HE ARG A 72 36.307 39.148 6.641 1.00 0.00 H ATOM 918 HH12 ARG A 72 33.352 37.358 7.381 1.00 0.00 H ATOM 919 HH11 ARG A 72 35.057 37.693 7.856 1.00 0.00 H ATOM 920 HH22 ARG A 72 32.443 38.405 5.544 1.00 0.00 H ATOM 921 HH21 ARG A 72 33.435 39.559 4.580 1.00 0.00 H ATOM 922 H ARG A 72 38.453 43.641 5.570 1.00 0.00 H ATOM 923 N TYR A 73 38.855 42.893 1.333 1.00 19.71 N ATOM 924 CA TYR A 73 38.816 43.632 0.082 1.00 18.54 C ATOM 925 C TYR A 73 37.976 42.853 -0.921 1.00 19.04 C ATOM 926 O TYR A 73 37.642 41.686 -0.696 1.00 18.42 O ATOM 927 CB TYR A 73 40.231 43.857 -0.459 1.00 15.61 C ATOM 928 CG TYR A 73 41.057 42.605 -0.641 1.00 14.89 C ATOM 929 CD1 TYR A 73 40.825 41.735 -1.704 1.00 13.36 C ATOM 930 CD2 TYR A 73 42.099 42.303 0.244 1.00 15.08 C ATOM 931 CE1 TYR A 73 41.613 40.597 -1.883 1.00 14.98 C ATOM 932 CE2 TYR A 73 42.890 41.171 0.075 1.00 13.12 C ATOM 933 CZ TYR A 73 42.645 40.325 -0.987 1.00 14.52 C ATOM 934 OH TYR A 73 43.430 39.209 -1.150 1.00 16.15 O ATOM 935 HA TYR A 73 38.368 44.611 0.252 1.00 0.00 H ATOM 936 HB3 TYR A 73 40.758 44.511 0.236 1.00 0.00 H ATOM 937 HB2 TYR A 73 40.148 44.350 -1.428 1.00 0.00 H ATOM 938 HD2 TYR A 73 42.295 42.969 1.084 1.00 0.00 H ATOM 939 HE2 TYR A 73 43.696 40.954 0.776 1.00 0.00 H ATOM 940 HE1 TYR A 73 41.422 39.925 -2.719 1.00 0.00 H ATOM 941 HD1 TYR A 73 40.017 41.946 -2.405 1.00 0.00 H ATOM 942 HH TYR A 73 44.374 39.485 -1.266 1.00 0.00 H ATOM 943 H TYR A 73 39.074 41.876 1.312 1.00 0.00 H ATOM 944 N LYS A 74 37.632 43.507 -2.024 1.00 19.54 N ATOM 945 CA LYS A 74 36.823 42.891 -3.065 1.00 19.91 C ATOM 946 C LYS A 74 37.615 42.779 -4.361 1.00 20.81 C ATOM 947 O LYS A 74 38.311 43.716 -4.754 1.00 21.26 O ATOM 948 CB LYS A 74 35.575 43.737 -3.322 1.00 20.36 C ATOM 949 CG LYS A 74 34.652 43.910 -2.129 1.00 21.72 C ATOM 950 CD LYS A 74 33.902 42.631 -1.833 1.00 23.82 C ATOM 951 CE LYS A 74 32.865 42.840 -0.747 1.00 25.09 C ATOM 952 NZ LYS A 74 32.093 41.583 -0.513 1.00 30.54 N ATOM 953 HA LYS A 74 36.536 41.894 -2.730 1.00 0.00 H ATOM 954 HB2 LYS A 74 35.899 44.727 -3.644 1.00 0.00 H ATOM 955 HB3 LYS A 74 35.006 43.264 -4.123 1.00 0.00 H ATOM 956 HG2 LYS A 74 35.245 44.186 -1.257 1.00 0.00 H ATOM 957 HG3 LYS A 74 33.935 44.702 -2.345 1.00 0.00 H ATOM 958 HD2 LYS A 74 33.403 42.293 -2.741 1.00 0.00 H ATOM 959 HD3 LYS A 74 34.611 41.871 -1.506 1.00 0.00 H ATOM 960 HE2 LYS A 74 32.180 43.631 -1.052 1.00 0.00 H ATOM 961 HE3 LYS A 74 33.366 43.131 0.176 1.00 0.00 H ATOM 962 HZ1 LYS A 74 31.612 41.305 -1.392 1.00 0.00 H ATOM 963 HZ2 LYS A 74 32.744 40.827 -0.219 1.00 0.00 H ATOM 964 HZ3 LYS A 74 31.388 41.745 0.234 1.00 0.00 H ATOM 965 H LYS A 74 37.950 44.489 -2.148 1.00 0.00 H ATOM 966 N TYR A 75 37.509 41.636 -5.025 1.00 21.49 N ATOM 967 CA TYR A 75 38.203 41.457 -6.284 1.00 23.41 C ATOM 968 C TYR A 75 37.401 40.564 -7.220 1.00 24.51 C ATOM 969 O TYR A 75 36.558 39.770 -6.790 1.00 24.65 O ATOM 970 CB TYR A 75 39.616 40.890 -6.049 1.00 22.06 C ATOM 971 CG TYR A 75 39.686 39.411 -5.750 1.00 20.86 C ATOM 972 CD1 TYR A 75 39.665 38.474 -6.779 1.00 19.49 C ATOM 973 CD2 TYR A 75 39.787 38.948 -4.438 1.00 20.99 C ATOM 974 CE1 TYR A 75 39.745 37.116 -6.512 1.00 19.42 C ATOM 975 CE2 TYR A 75 39.866 37.586 -4.161 1.00 19.00 C ATOM 976 CZ TYR A 75 39.846 36.678 -5.204 1.00 18.73 C ATOM 977 OH TYR A 75 39.933 35.331 -4.944 1.00 19.62 O ATOM 978 HA TYR A 75 38.307 42.432 -6.761 1.00 0.00 H ATOM 979 HB3 TYR A 75 40.056 41.424 -5.206 1.00 0.00 H ATOM 980 HB2 TYR A 75 40.207 41.079 -6.945 1.00 0.00 H ATOM 981 HD2 TYR A 75 39.804 39.664 -3.616 1.00 0.00 H ATOM 982 HE2 TYR A 75 39.943 37.238 -3.131 1.00 0.00 H ATOM 983 HE1 TYR A 75 39.728 36.396 -7.330 1.00 0.00 H ATOM 984 HD1 TYR A 75 39.584 38.813 -7.812 1.00 0.00 H ATOM 985 HH TYR A 75 39.904 34.829 -5.797 1.00 0.00 H ATOM 986 H TYR A 75 36.926 40.866 -4.641 1.00 0.00 H ATOM 987 N LYS A 76 37.644 40.738 -8.512 1.00 25.88 N ATOM 988 CA LYS A 76 36.980 39.952 -9.538 1.00 26.60 C ATOM 989 C LYS A 76 38.053 39.456 -10.479 1.00 27.45 C ATOM 990 O LYS A 76 39.171 39.968 -10.484 1.00 28.70 O ATOM 991 CB LYS A 76 36.007 40.817 -10.337 1.00 26.44 C ATOM 992 CG LYS A 76 36.682 41.978 -11.052 1.00 26.13 C ATOM 993 CD LYS A 76 35.674 42.912 -11.702 1.00 29.50 C ATOM 994 CE LYS A 76 36.355 44.090 -12.400 1.00 31.69 C ATOM 995 NZ LYS A 76 35.377 44.946 -13.148 1.00 32.88 N ATOM 996 HA LYS A 76 36.424 39.135 -9.077 1.00 0.00 H ATOM 997 HB2 LYS A 76 35.517 40.190 -11.081 1.00 0.00 H ATOM 998 HB3 LYS A 76 35.259 41.219 -9.653 1.00 0.00 H ATOM 999 HG2 LYS A 76 37.270 42.543 -10.329 1.00 0.00 H ATOM 1000 HG3 LYS A 76 37.342 41.581 -11.823 1.00 0.00 H ATOM 1001 HD2 LYS A 76 35.097 42.352 -12.438 1.00 0.00 H ATOM 1002 HD3 LYS A 76 35.004 43.297 -10.934 1.00 0.00 H ATOM 1003 HE2 LYS A 76 37.093 43.703 -13.103 1.00 0.00 H ATOM 1004 HE3 LYS A 76 36.855 44.702 -11.649 1.00 0.00 H ATOM 1005 HZ1 LYS A 76 34.899 44.372 -13.872 1.00 0.00 H ATOM 1006 HZ2 LYS A 76 34.672 45.326 -12.484 1.00 0.00 H ATOM 1007 HZ3 LYS A 76 35.884 45.731 -13.605 1.00 0.00 H ATOM 1008 H LYS A 76 38.333 41.461 -8.801 1.00 0.00 H ATOM 1009 N ARG A 77 37.680 38.463 -11.273 1.00 28.30 N ATOM 1010 CA ARG A 77 38.565 37.891 -12.264 1.00 29.78 C ATOM 1011 C ARG A 77 37.964 38.328 -13.586 1.00 30.47 C ATOM 1012 O ARG A 77 36.830 37.983 -13.880 1.00 30.58 O ATOM 1013 CB ARG A 77 38.541 36.373 -12.171 1.00 28.68 C ATOM 1014 CG ARG A 77 38.454 35.882 -10.760 1.00 28.13 C ATOM 1015 CD ARG A 77 39.225 34.597 -10.534 1.00 27.53 C ATOM 1016 NE ARG A 77 40.644 34.724 -10.833 1.00 28.69 N ATOM 1017 CZ ARG A 77 41.613 34.083 -10.184 1.00 28.37 C ATOM 1018 NH1 ARG A 77 41.336 33.265 -9.186 1.00 29.22 N ATOM 1019 NH2 ARG A 77 42.877 34.257 -10.543 1.00 27.74 N ATOM 1020 HA ARG A 77 39.600 38.209 -12.137 1.00 0.00 H ATOM 1021 HB2 ARG A 77 37.677 36.003 -12.723 1.00 0.00 H ATOM 1022 HB3 ARG A 77 39.453 35.981 -12.621 1.00 0.00 H ATOM 1023 HG2 ARG A 77 38.856 36.650 -10.099 1.00 0.00 H ATOM 1024 HG3 ARG A 77 37.406 35.707 -10.516 1.00 0.00 H ATOM 1025 HD2 ARG A 77 38.803 33.822 -11.173 1.00 0.00 H ATOM 1026 HD3 ARG A 77 39.115 34.305 -9.490 1.00 0.00 H ATOM 1027 HE ARG A 77 40.920 35.360 -11.608 1.00 0.00 H ATOM 1028 HH12 ARG A 77 42.105 32.772 -8.689 1.00 0.00 H ATOM 1029 HH11 ARG A 77 40.349 33.114 -8.896 1.00 0.00 H ATOM 1030 HH22 ARG A 77 43.635 33.757 -10.036 1.00 0.00 H ATOM 1031 HH21 ARG A 77 43.111 34.894 -11.331 1.00 0.00 H ATOM 1032 H ARG A 77 36.717 38.081 -11.180 1.00 0.00 H ATOM 1033 N VAL A 78 38.705 39.075 -14.394 1.00 32.30 N ATOM 1034 CA VAL A 78 38.118 39.481 -15.661 1.00 36.08 C ATOM 1035 C VAL A 78 37.908 38.194 -16.473 1.00 39.16 C ATOM 1036 O VAL A 78 36.775 37.894 -16.798 1.00 41.43 O ATOM 1037 CB VAL A 78 38.962 40.581 -16.352 1.00 36.38 C ATOM 1038 CG1 VAL A 78 38.525 40.739 -17.797 1.00 36.16 C ATOM 1039 CG2 VAL A 78 38.754 41.947 -15.639 1.00 34.87 C ATOM 1040 HA VAL A 78 37.150 39.966 -15.538 1.00 0.00 H ATOM 1041 HB VAL A 78 40.010 40.285 -16.301 1.00 0.00 H ATOM 1042 HG11 VAL A 78 38.665 39.795 -18.323 1.00 0.00 H ATOM 1043 HG12 VAL A 78 37.473 41.021 -17.828 1.00 0.00 H ATOM 1044 HG13 VAL A 78 39.124 41.515 -18.274 1.00 0.00 H ATOM 1045 HG21 VAL A 78 37.701 42.223 -15.686 1.00 0.00 H ATOM 1046 HG22 VAL A 78 39.063 41.862 -14.597 1.00 0.00 H ATOM 1047 HG23 VAL A 78 39.353 42.710 -16.136 1.00 0.00 H ATOM 1048 H VAL A 78 39.670 39.360 -14.131 1.00 0.00 H ATOM 1049 N ASN A 79 38.960 37.433 -16.778 1.00 40.73 N ATOM 1050 CA ASN A 79 38.751 36.141 -17.472 1.00 41.31 C ATOM 1051 C ASN A 79 39.504 35.074 -16.635 1.00 40.59 C ATOM 1052 O ASN A 79 38.882 34.193 -16.023 1.00 41.29 O ATOM 1053 CB ASN A 79 39.155 36.236 -18.977 1.00 43.67 C ATOM 1054 CG ASN A 79 37.939 36.508 -19.867 1.00 45.26 C ATOM 1055 OD1 ASN A 79 38.035 37.065 -20.976 1.00 46.57 O ATOM 1056 ND2 ASN A 79 36.780 36.164 -19.348 1.00 45.41 N ATOM 1057 HA ASN A 79 37.702 35.850 -17.524 1.00 0.00 H ATOM 1058 HB2 ASN A 79 39.874 37.046 -19.101 1.00 0.00 H ATOM 1059 HB3 ASN A 79 39.614 35.295 -19.281 1.00 0.00 H ATOM 1060 HD22 ASN A 79 36.744 35.700 -18.418 1.00 0.00 H ATOM 1061 HD21 ASN A 79 35.900 36.356 -19.868 1.00 0.00 H ATOM 1062 H ASN A 79 39.921 37.745 -16.530 1.00 0.00 H ATOM 1063 N GLY A 80 40.832 35.215 -16.628 1.00 38.66 N ATOM 1064 CA GLY A 80 41.722 34.416 -15.804 1.00 36.97 C ATOM 1065 C GLY A 80 42.450 35.385 -14.863 1.00 35.55 C ATOM 1066 O GLY A 80 43.036 35.006 -13.844 1.00 36.12 O ATOM 1067 HA3 GLY A 80 42.442 33.890 -16.431 1.00 0.00 H ATOM 1068 HA2 GLY A 80 41.148 33.692 -15.226 1.00 0.00 H ATOM 1069 H GLY A 80 41.252 35.937 -17.247 1.00 0.00 H ATOM 1070 N ALA A 81 42.379 36.670 -15.205 1.00 33.24 N ATOM 1071 CA ALA A 81 43.036 37.765 -14.466 1.00 30.50 C ATOM 1072 C ALA A 81 42.361 38.193 -13.164 1.00 28.52 C ATOM 1073 O ALA A 81 41.144 38.188 -13.047 1.00 27.06 O ATOM 1074 CB ALA A 81 43.159 38.992 -15.362 1.00 30.59 C ATOM 1075 HA ALA A 81 44.004 37.353 -14.182 1.00 0.00 H ATOM 1076 HB1 ALA A 81 43.754 38.741 -16.240 1.00 0.00 H ATOM 1077 HB2 ALA A 81 42.165 39.313 -15.675 1.00 0.00 H ATOM 1078 HB3 ALA A 81 43.645 39.796 -14.810 1.00 0.00 H ATOM 1079 H ALA A 81 41.824 36.918 -16.049 1.00 0.00 H ATOM 1080 N ILE A 82 43.186 38.562 -12.191 1.00 27.30 N ATOM 1081 CA ILE A 82 42.734 39.035 -10.898 1.00 24.33 C ATOM 1082 C ILE A 82 42.671 40.554 -10.957 1.00 22.81 C ATOM 1083 O ILE A 82 43.652 41.208 -11.303 1.00 22.87 O ATOM 1084 CB ILE A 82 43.722 38.671 -9.773 1.00 24.32 C ATOM 1085 CG1 ILE A 82 43.762 37.165 -9.558 1.00 24.89 C ATOM 1086 CG2 ILE A 82 43.324 39.387 -8.501 1.00 26.79 C ATOM 1087 CD1 ILE A 82 44.663 36.440 -10.522 1.00 27.26 C ATOM 1088 HA ILE A 82 41.769 38.574 -10.685 1.00 0.00 H ATOM 1089 HB ILE A 82 44.724 38.991 -10.060 1.00 0.00 H ATOM 1090 HG12 ILE A 82 44.114 36.971 -8.545 1.00 0.00 H ATOM 1091 HG13 ILE A 82 42.751 36.774 -9.671 1.00 0.00 H ATOM 1092 HD11 ILE A 82 44.318 36.614 -11.541 1.00 0.00 H ATOM 1093 HD12 ILE A 82 45.682 36.811 -10.414 1.00 0.00 H ATOM 1094 HD13 ILE A 82 44.639 35.372 -10.306 1.00 0.00 H ATOM 1095 HG21 ILE A 82 43.345 40.464 -8.670 1.00 0.00 H ATOM 1096 HG22 ILE A 82 42.317 39.083 -8.214 1.00 0.00 H ATOM 1097 HG23 ILE A 82 44.024 39.129 -7.706 1.00 0.00 H ATOM 1098 H ILE A 82 44.210 38.509 -12.366 1.00 0.00 H ATOM 1099 N VAL A 83 41.518 41.118 -10.634 1.00 20.31 N ATOM 1100 CA VAL A 83 41.375 42.563 -10.643 1.00 18.66 C ATOM 1101 C VAL A 83 40.846 43.025 -9.296 1.00 18.58 C ATOM 1102 O VAL A 83 39.755 42.636 -8.871 1.00 17.21 O ATOM 1103 CB VAL A 83 40.417 43.030 -11.752 1.00 18.96 C ATOM 1104 CG1 VAL A 83 40.194 44.532 -11.640 1.00 17.92 C ATOM 1105 CG2 VAL A 83 40.996 42.679 -13.117 1.00 17.44 C ATOM 1106 HA VAL A 83 42.355 42.998 -10.836 1.00 0.00 H ATOM 1107 HB VAL A 83 39.458 42.524 -11.639 1.00 0.00 H ATOM 1108 HG11 VAL A 83 39.760 44.762 -10.667 1.00 0.00 H ATOM 1109 HG12 VAL A 83 41.148 45.049 -11.745 1.00 0.00 H ATOM 1110 HG13 VAL A 83 39.515 44.857 -12.428 1.00 0.00 H ATOM 1111 HG21 VAL A 83 41.959 43.174 -13.240 1.00 0.00 H ATOM 1112 HG22 VAL A 83 41.130 41.599 -13.187 1.00 0.00 H ATOM 1113 HG23 VAL A 83 40.312 43.013 -13.897 1.00 0.00 H ATOM 1114 H VAL A 83 40.708 40.521 -10.372 1.00 0.00 H ATOM 1115 N CYS A 84 41.642 43.845 -8.621 1.00 18.13 N ATOM 1116 CA CYS A 84 41.270 44.376 -7.326 1.00 17.81 C ATOM 1117 C CYS A 84 40.284 45.507 -7.520 1.00 19.84 C ATOM 1118 O CYS A 84 40.530 46.427 -8.298 1.00 20.80 O ATOM 1119 CB CYS A 84 42.496 44.906 -6.603 1.00 15.37 C ATOM 1120 SG CYS A 84 43.728 43.636 -6.200 1.00 15.12 S ATOM 1121 HA CYS A 84 40.821 43.581 -6.731 1.00 0.00 H ATOM 1122 HB2 CYS A 84 42.170 45.374 -5.674 1.00 0.00 H ATOM 1123 HB3 CYS A 84 42.971 45.654 -7.238 1.00 0.00 H ATOM 1124 H CYS A 84 42.558 44.114 -9.033 1.00 0.00 H ATOM 1125 N GLU A 85 39.165 45.435 -6.811 1.00 21.28 N ATOM 1126 CA GLU A 85 38.148 46.467 -6.901 1.00 22.46 C ATOM 1127 C GLU A 85 38.494 47.618 -5.965 1.00 21.96 C ATOM 1128 O GLU A 85 39.159 47.426 -4.946 1.00 21.99 O ATOM 1129 CB GLU A 85 36.787 45.868 -6.564 1.00 24.85 C ATOM 1130 CG GLU A 85 36.331 44.863 -7.611 1.00 30.01 C ATOM 1131 CD GLU A 85 35.166 44.012 -7.157 1.00 32.91 C ATOM 1132 OE1 GLU A 85 35.352 43.198 -6.228 1.00 35.39 O ATOM 1133 OE2 GLU A 85 34.064 44.154 -7.728 1.00 34.99 O ATOM 1134 HA GLU A 85 38.108 46.861 -7.917 1.00 0.00 H ATOM 1135 HB2 GLU A 85 36.853 45.366 -5.599 1.00 0.00 H ATOM 1136 HB3 GLU A 85 36.053 46.672 -6.505 1.00 0.00 H ATOM 1137 HG2 GLU A 85 36.033 45.408 -8.507 1.00 0.00 H ATOM 1138 HG3 GLU A 85 37.168 44.206 -7.848 1.00 0.00 H ATOM 1139 H GLU A 85 39.013 44.624 -6.178 1.00 0.00 H ATOM 1140 N LYS A 86 38.059 48.819 -6.324 1.00 21.95 N ATOM 1141 CA LYS A 86 38.342 50.001 -5.524 1.00 21.79 C ATOM 1142 C LYS A 86 37.713 49.919 -4.141 1.00 20.67 C ATOM 1143 O LYS A 86 36.549 49.549 -3.991 1.00 19.94 O ATOM 1144 CB LYS A 86 37.845 51.258 -6.244 1.00 24.28 C ATOM 1145 CG LYS A 86 38.218 52.573 -5.562 1.00 28.76 C ATOM 1146 CD LYS A 86 37.691 53.780 -6.355 1.00 32.57 C ATOM 1147 CE LYS A 86 37.915 55.110 -5.620 1.00 35.17 C ATOM 1148 NZ LYS A 86 39.361 55.402 -5.349 1.00 37.46 N ATOM 1149 HA LYS A 86 39.423 50.054 -5.395 1.00 0.00 H ATOM 1150 HB2 LYS A 86 38.268 51.264 -7.249 1.00 0.00 H ATOM 1151 HB3 LYS A 86 36.758 51.205 -6.309 1.00 0.00 H ATOM 1152 HG2 LYS A 86 37.787 52.589 -4.561 1.00 0.00 H ATOM 1153 HG3 LYS A 86 39.303 52.641 -5.490 1.00 0.00 H ATOM 1154 HD2 LYS A 86 38.206 53.820 -7.315 1.00 0.00 H ATOM 1155 HD3 LYS A 86 36.622 53.649 -6.523 1.00 0.00 H ATOM 1156 HE2 LYS A 86 37.385 55.073 -4.668 1.00 0.00 H ATOM 1157 HE3 LYS A 86 37.508 55.916 -6.230 1.00 0.00 H ATOM 1158 HZ1 LYS A 86 39.761 54.646 -4.758 1.00 0.00 H ATOM 1159 HZ2 LYS A 86 39.878 55.450 -6.250 1.00 0.00 H ATOM 1160 HZ3 LYS A 86 39.442 56.312 -4.852 1.00 0.00 H ATOM 1161 H LYS A 86 37.503 48.918 -7.197 1.00 0.00 H ATOM 1162 N GLY A 88 38.508 50.261 -3.133 1.00 19.55 N ATOM 1163 CA GLY A 88 38.044 50.258 -1.759 1.00 18.87 C ATOM 1164 C GLY A 88 38.886 51.285 -1.035 1.00 18.11 C ATOM 1165 O GLY A 88 39.201 52.323 -1.605 1.00 19.11 O ATOM 1166 HA3 GLY A 88 38.182 49.273 -1.314 1.00 0.00 H ATOM 1167 HA2 GLY A 88 36.990 50.532 -1.714 1.00 0.00 H ATOM 1168 H GLY A 88 39.490 50.538 -3.335 1.00 0.00 H ATOM 1169 N THR A 89 39.251 51.014 0.211 1.00 17.29 N ATOM 1170 CA THR A 89 40.093 51.936 0.961 1.00 16.16 C ATOM 1171 C THR A 89 41.490 51.789 0.371 1.00 16.81 C ATOM 1172 O THR A 89 41.765 50.812 -0.327 1.00 16.64 O ATOM 1173 CB THR A 89 40.159 51.549 2.434 1.00 16.61 C ATOM 1174 OG1 THR A 89 40.812 50.278 2.561 1.00 13.71 O ATOM 1175 CG2 THR A 89 38.761 51.457 3.017 1.00 17.76 C ATOM 1176 HA THR A 89 39.699 52.950 0.895 1.00 0.00 H ATOM 1177 HB THR A 89 40.719 52.311 2.977 1.00 0.00 H ATOM 1178 HG1 THR A 89 40.300 49.594 2.060 1.00 0.00 H ATOM 1179 HG23 THR A 89 38.264 52.422 2.921 1.00 0.00 H ATOM 1180 HG21 THR A 89 38.193 50.699 2.477 1.00 0.00 H ATOM 1181 HG22 THR A 89 38.825 51.183 4.070 1.00 0.00 H ATOM 1182 H THR A 89 38.932 50.131 0.659 1.00 0.00 H ATOM 1183 N SER A 90 42.376 52.741 0.643 1.00 17.11 N ATOM 1184 CA SER A 90 43.723 52.649 0.102 1.00 17.19 C ATOM 1185 C SER A 90 44.420 51.401 0.624 1.00 16.75 C ATOM 1186 O SER A 90 45.057 50.688 -0.141 1.00 17.30 O ATOM 1187 CB SER A 90 44.538 53.887 0.458 1.00 16.70 C ATOM 1188 OG SER A 90 44.695 53.992 1.854 1.00 21.42 O ATOM 1189 HA SER A 90 43.647 52.586 -0.983 1.00 0.00 H ATOM 1190 HB2 SER A 90 44.024 54.774 0.087 1.00 0.00 H ATOM 1191 HB3 SER A 90 45.520 53.816 -0.009 1.00 0.00 H ATOM 1192 HG SER A 90 45.226 54.800 2.065 1.00 0.00 H ATOM 1193 H SER A 90 42.107 53.549 1.240 1.00 0.00 H ATOM 1194 N CYS A 91 44.297 51.128 1.920 1.00 17.05 N ATOM 1195 CA CYS A 91 44.927 49.934 2.484 1.00 16.86 C ATOM 1196 C CYS A 91 44.375 48.730 1.737 1.00 16.89 C ATOM 1197 O CYS A 91 45.123 47.891 1.244 1.00 17.86 O ATOM 1198 CB CYS A 91 44.610 49.779 3.979 1.00 17.00 C ATOM 1199 SG CYS A 91 45.696 50.654 5.163 1.00 17.21 S ATOM 1200 HA CYS A 91 46.009 50.017 2.380 1.00 0.00 H ATOM 1201 HB2 CYS A 91 44.657 48.716 4.215 1.00 0.00 H ATOM 1202 HB3 CYS A 91 43.594 50.141 4.138 1.00 0.00 H ATOM 1203 H CYS A 91 43.751 51.765 2.534 1.00 0.00 H ATOM 1204 N GLU A 92 43.053 48.661 1.653 1.00 16.81 N ATOM 1205 CA GLU A 92 42.392 47.563 0.970 1.00 15.57 C ATOM 1206 C GLU A 92 42.935 47.345 -0.436 1.00 16.40 C ATOM 1207 O GLU A 92 43.133 46.203 -0.849 1.00 17.61 O ATOM 1208 CB GLU A 92 40.881 47.812 0.918 1.00 13.41 C ATOM 1209 CG GLU A 92 40.104 47.149 2.048 1.00 9.77 C ATOM 1210 CD GLU A 92 38.851 47.912 2.432 1.00 8.08 C ATOM 1211 OE1 GLU A 92 38.323 48.666 1.589 1.00 7.44 O ATOM 1212 OE2 GLU A 92 38.385 47.751 3.579 1.00 6.67 O ATOM 1213 HA GLU A 92 42.596 46.656 1.539 1.00 0.00 H ATOM 1214 HB2 GLU A 92 40.709 48.887 0.968 1.00 0.00 H ATOM 1215 HB3 GLU A 92 40.503 47.428 -0.030 1.00 0.00 H ATOM 1216 HG2 GLU A 92 39.817 46.146 1.731 1.00 0.00 H ATOM 1217 HG3 GLU A 92 40.751 47.081 2.922 1.00 0.00 H ATOM 1218 H GLU A 92 42.477 49.410 2.086 1.00 0.00 H ATOM 1219 N ASN A 93 43.190 48.426 -1.167 1.00 16.39 N ATOM 1220 CA ASN A 93 43.693 48.291 -2.531 1.00 17.60 C ATOM 1221 C ASN A 93 45.140 47.802 -2.565 1.00 17.85 C ATOM 1222 O ASN A 93 45.503 46.966 -3.394 1.00 19.10 O ATOM 1223 CB ASN A 93 43.585 49.624 -3.280 1.00 18.96 C ATOM 1224 CG ASN A 93 42.210 50.258 -3.153 1.00 21.78 C ATOM 1225 OD1 ASN A 93 41.186 49.599 -3.349 1.00 23.97 O ATOM 1226 ND2 ASN A 93 42.180 51.546 -2.828 1.00 22.74 N ATOM 1227 HA ASN A 93 43.073 47.543 -3.024 1.00 0.00 H ATOM 1228 HB2 ASN A 93 44.326 50.313 -2.875 1.00 0.00 H ATOM 1229 HB3 ASN A 93 43.793 49.449 -4.336 1.00 0.00 H ATOM 1230 HD22 ASN A 93 43.068 52.064 -2.672 1.00 0.00 H ATOM 1231 HD21 ASN A 93 41.268 52.036 -2.730 1.00 0.00 H ATOM 1232 H ASN A 93 43.030 49.372 -0.765 1.00 0.00 H ATOM 1233 N ARG A 94 45.962 48.313 -1.658 1.00 16.68 N ATOM 1234 CA ARG A 94 47.364 47.933 -1.612 1.00 17.78 C ATOM 1235 C ARG A 94 47.565 46.544 -1.021 1.00 18.36 C ATOM 1236 O ARG A 94 48.577 45.882 -1.282 1.00 19.10 O ATOM 1237 CB ARG A 94 48.145 48.983 -0.824 1.00 18.10 C ATOM 1238 CG ARG A 94 48.007 50.369 -1.439 1.00 21.45 C ATOM 1239 CD ARG A 94 48.345 51.454 -0.449 1.00 26.45 C ATOM 1240 NE ARG A 94 49.782 51.648 -0.307 1.00 30.59 N ATOM 1241 CZ ARG A 94 50.346 52.290 0.712 1.00 32.74 C ATOM 1242 NH1 ARG A 94 49.587 52.792 1.682 1.00 31.88 N ATOM 1243 NH2 ARG A 94 51.665 52.443 0.751 1.00 34.23 N ATOM 1244 HA ARG A 94 47.741 47.890 -2.634 1.00 0.00 H ATOM 1245 HB2 ARG A 94 47.767 49.011 0.198 1.00 0.00 H ATOM 1246 HB3 ARG A 94 49.199 48.705 -0.813 1.00 0.00 H ATOM 1247 HG2 ARG A 94 48.681 50.446 -2.292 1.00 0.00 H ATOM 1248 HG3 ARG A 94 46.979 50.506 -1.776 1.00 0.00 H ATOM 1249 HD2 ARG A 94 47.930 51.184 0.522 1.00 0.00 H ATOM 1250 HD3 ARG A 94 47.897 52.388 -0.787 1.00 0.00 H ATOM 1251 HE ARG A 94 50.403 51.262 -1.046 1.00 0.00 H ATOM 1252 HH12 ARG A 94 50.027 53.294 2.479 1.00 0.00 H ATOM 1253 HH11 ARG A 94 48.554 52.682 1.643 1.00 0.00 H ATOM 1254 HH22 ARG A 94 52.107 52.945 1.547 1.00 0.00 H ATOM 1255 HH21 ARG A 94 52.256 52.061 -0.015 1.00 0.00 H ATOM 1256 H ARG A 94 45.596 48.999 -0.967 1.00 0.00 H ATOM 1257 N ILE A 95 46.596 46.106 -0.225 1.00 17.16 N ATOM 1258 CA ILE A 95 46.648 44.790 0.388 1.00 15.91 C ATOM 1259 C ILE A 95 46.361 43.788 -0.718 1.00 15.74 C ATOM 1260 O ILE A 95 47.056 42.787 -0.887 1.00 14.84 O ATOM 1261 CB ILE A 95 45.566 44.650 1.489 1.00 16.61 C ATOM 1262 CG1 ILE A 95 45.937 45.530 2.684 1.00 17.17 C ATOM 1263 CG2 ILE A 95 45.411 43.179 1.912 1.00 15.08 C ATOM 1264 CD1 ILE A 95 44.919 45.501 3.806 1.00 18.56 C ATOM 1265 HA ILE A 95 47.621 44.625 0.851 1.00 0.00 H ATOM 1266 HB ILE A 95 44.606 44.982 1.094 1.00 0.00 H ATOM 1267 HG12 ILE A 95 46.894 45.188 3.079 1.00 0.00 H ATOM 1268 HG13 ILE A 95 46.036 46.558 2.336 1.00 0.00 H ATOM 1269 HD11 ILE A 95 43.957 45.852 3.432 1.00 0.00 H ATOM 1270 HD12 ILE A 95 44.816 44.481 4.175 1.00 0.00 H ATOM 1271 HD13 ILE A 95 45.254 46.149 4.616 1.00 0.00 H ATOM 1272 HG21 ILE A 95 45.116 42.583 1.048 1.00 0.00 H ATOM 1273 HG22 ILE A 95 46.361 42.812 2.301 1.00 0.00 H ATOM 1274 HG23 ILE A 95 44.647 43.103 2.685 1.00 0.00 H ATOM 1275 H ILE A 95 45.779 46.721 -0.036 1.00 0.00 H ATOM 1276 N CYS A 96 45.318 44.079 -1.476 1.00 15.75 N ATOM 1277 CA CYS A 96 44.912 43.217 -2.564 1.00 17.01 C ATOM 1278 C CYS A 96 46.044 43.032 -3.586 1.00 18.92 C ATOM 1279 O CYS A 96 46.338 41.909 -4.010 1.00 19.14 O ATOM 1280 CB CYS A 96 43.671 43.811 -3.214 1.00 15.03 C ATOM 1281 SG CYS A 96 42.968 42.786 -4.526 1.00 12.32 S ATOM 1282 HA CYS A 96 44.681 42.226 -2.175 1.00 0.00 H ATOM 1283 HB2 CYS A 96 43.936 44.779 -3.639 1.00 0.00 H ATOM 1284 HB3 CYS A 96 42.913 43.950 -2.443 1.00 0.00 H ATOM 1285 H CYS A 96 44.777 44.947 -1.286 1.00 0.00 H ATOM 1286 N GLU A 97 46.687 44.129 -3.974 1.00 19.16 N ATOM 1287 CA GLU A 97 47.786 44.038 -4.924 1.00 19.46 C ATOM 1288 C GLU A 97 48.891 43.128 -4.386 1.00 18.56 C ATOM 1289 O GLU A 97 49.561 42.444 -5.160 1.00 20.43 O ATOM 1290 CB GLU A 97 48.364 45.422 -5.223 1.00 19.99 C ATOM 1291 CG GLU A 97 47.477 46.302 -6.088 1.00 22.36 C ATOM 1292 CD GLU A 97 47.134 45.649 -7.412 1.00 22.63 C ATOM 1293 OE1 GLU A 97 47.974 44.881 -7.919 1.00 25.16 O ATOM 1294 OE2 GLU A 97 46.038 45.907 -7.950 1.00 21.62 O ATOM 1295 HA GLU A 97 47.392 43.613 -5.847 1.00 0.00 H ATOM 1296 HB2 GLU A 97 48.531 45.934 -4.275 1.00 0.00 H ATOM 1297 HB3 GLU A 97 49.317 45.290 -5.736 1.00 0.00 H ATOM 1298 HG2 GLU A 97 46.553 46.507 -5.548 1.00 0.00 H ATOM 1299 HG3 GLU A 97 47.997 47.240 -6.284 1.00 0.00 H ATOM 1300 H GLU A 97 46.404 45.056 -3.597 1.00 0.00 H ATOM 1301 N CYS A 98 49.084 43.122 -3.068 1.00 16.52 N ATOM 1302 CA CYS A 98 50.112 42.280 -2.454 1.00 15.57 C ATOM 1303 C CYS A 98 49.753 40.800 -2.565 1.00 15.41 C ATOM 1304 O CYS A 98 50.599 39.970 -2.895 1.00 15.18 O ATOM 1305 CB CYS A 98 50.291 42.614 -0.972 1.00 14.91 C ATOM 1306 SG CYS A 98 51.168 44.151 -0.554 1.00 14.11 S ATOM 1307 HA CYS A 98 51.039 42.478 -2.992 1.00 0.00 H ATOM 1308 HB2 CYS A 98 50.841 41.791 -0.516 1.00 0.00 H ATOM 1309 HB3 CYS A 98 49.297 42.675 -0.529 1.00 0.00 H ATOM 1310 H CYS A 98 48.493 43.727 -2.463 1.00 0.00 H ATOM 1311 N ASP A 99 48.496 40.480 -2.273 1.00 15.26 N ATOM 1312 CA ASP A 99 48.009 39.106 -2.331 1.00 15.45 C ATOM 1313 C ASP A 99 47.934 38.590 -3.773 1.00 16.02 C ATOM 1314 O ASP A 99 48.230 37.418 -4.052 1.00 15.22 O ATOM 1315 CB ASP A 99 46.634 39.021 -1.664 1.00 14.96 C ATOM 1316 CG ASP A 99 46.718 39.117 -0.154 1.00 15.68 C ATOM 1317 OD1 ASP A 99 47.848 39.230 0.359 1.00 18.04 O ATOM 1318 OD2 ASP A 99 45.669 39.071 0.523 1.00 14.61 O ATOM 1319 HA ASP A 99 48.716 38.472 -1.795 1.00 0.00 H ATOM 1320 HB2 ASP A 99 46.014 39.838 -2.033 1.00 0.00 H ATOM 1321 HB3 ASP A 99 46.174 38.069 -1.930 1.00 0.00 H ATOM 1322 H ASP A 99 47.837 41.235 -1.994 1.00 0.00 H ATOM 1323 N LYS A 100 47.540 39.467 -4.688 1.00 14.46 N ATOM 1324 CA LYS A 100 47.443 39.092 -6.090 1.00 14.52 C ATOM 1325 C LYS A 100 48.815 38.662 -6.587 1.00 15.28 C ATOM 1326 O LYS A 100 48.951 37.657 -7.291 1.00 16.30 O ATOM 1327 CB LYS A 100 46.949 40.280 -6.910 1.00 14.99 C ATOM 1328 CG LYS A 100 46.907 40.050 -8.402 1.00 12.03 C ATOM 1329 CD LYS A 100 46.489 41.327 -9.099 1.00 14.48 C ATOM 1330 CE LYS A 100 46.482 41.168 -10.609 1.00 16.78 C ATOM 1331 NZ LYS A 100 46.041 42.431 -11.278 1.00 17.49 N ATOM 1332 HA LYS A 100 46.738 38.268 -6.199 1.00 0.00 H ATOM 1333 HB2 LYS A 100 45.941 40.526 -6.577 1.00 0.00 H ATOM 1334 HB3 LYS A 100 47.611 41.124 -6.716 1.00 0.00 H ATOM 1335 HG2 LYS A 100 47.895 39.752 -8.752 1.00 0.00 H ATOM 1336 HG3 LYS A 100 46.190 39.261 -8.628 1.00 0.00 H ATOM 1337 HD2 LYS A 100 45.487 41.598 -8.768 1.00 0.00 H ATOM 1338 HD3 LYS A 100 47.186 42.121 -8.831 1.00 0.00 H ATOM 1339 HE2 LYS A 100 45.799 40.363 -10.880 1.00 0.00 H ATOM 1340 HE3 LYS A 100 47.488 40.918 -10.946 1.00 0.00 H ATOM 1341 HZ1 LYS A 100 45.080 42.671 -10.963 1.00 0.00 H ATOM 1342 HZ2 LYS A 100 46.693 43.201 -11.026 1.00 0.00 H ATOM 1343 HZ3 LYS A 100 46.045 42.295 -12.309 1.00 0.00 H ATOM 1344 H LYS A 100 47.297 40.436 -4.398 1.00 0.00 H ATOM 1345 N ALA A 101 49.833 39.430 -6.212 1.00 14.60 N ATOM 1346 CA ALA A 101 51.199 39.136 -6.621 1.00 14.86 C ATOM 1347 C ALA A 101 51.626 37.751 -6.138 1.00 14.31 C ATOM 1348 O ALA A 101 52.143 36.937 -6.907 1.00 12.96 O ATOM 1349 CB ALA A 101 52.135 40.196 -6.067 1.00 16.34 C ATOM 1350 HA ALA A 101 51.247 39.144 -7.710 1.00 0.00 H ATOM 1351 HB1 ALA A 101 51.843 41.173 -6.451 1.00 0.00 H ATOM 1352 HB2 ALA A 101 52.075 40.199 -4.979 1.00 0.00 H ATOM 1353 HB3 ALA A 101 53.157 39.973 -6.375 1.00 0.00 H ATOM 1354 H ALA A 101 49.650 40.260 -5.613 1.00 0.00 H ATOM 1355 N ALA A 102 51.397 37.488 -4.857 1.00 12.96 N ATOM 1356 CA ALA A 102 51.763 36.212 -4.270 1.00 11.81 C ATOM 1357 C ALA A 102 51.070 35.029 -4.951 1.00 10.98 C ATOM 1358 O ALA A 102 51.674 33.972 -5.134 1.00 10.03 O ATOM 1359 CB ALA A 102 51.441 36.227 -2.780 1.00 10.87 C ATOM 1360 HA ALA A 102 52.834 36.076 -4.420 1.00 0.00 H ATOM 1361 HB1 ALA A 102 52.004 37.025 -2.296 1.00 0.00 H ATOM 1362 HB2 ALA A 102 50.373 36.398 -2.642 1.00 0.00 H ATOM 1363 HB3 ALA A 102 51.716 35.268 -2.340 1.00 0.00 H ATOM 1364 H ALA A 102 50.946 38.212 -4.262 1.00 0.00 H ATOM 1365 N ALA A 103 49.807 35.207 -5.328 1.00 10.47 N ATOM 1366 CA ALA A 103 49.059 34.129 -5.967 1.00 10.37 C ATOM 1367 C ALA A 103 49.693 33.793 -7.305 1.00 10.73 C ATOM 1368 O ALA A 103 50.080 32.648 -7.563 1.00 9.89 O ATOM 1369 CB ALA A 103 47.604 34.535 -6.155 1.00 9.10 C ATOM 1370 HA ALA A 103 49.088 33.246 -5.329 1.00 0.00 H ATOM 1371 HB1 ALA A 103 47.160 34.750 -5.183 1.00 0.00 H ATOM 1372 HB2 ALA A 103 47.555 35.424 -6.783 1.00 0.00 H ATOM 1373 HB3 ALA A 103 47.060 33.720 -6.633 1.00 0.00 H ATOM 1374 H ALA A 103 49.347 36.125 -5.165 1.00 0.00 H ATOM 1375 N ILE A 104 49.794 34.802 -8.159 1.00 11.49 N ATOM 1376 CA ILE A 104 50.399 34.624 -9.467 1.00 12.22 C ATOM 1377 C ILE A 104 51.756 33.944 -9.278 1.00 12.19 C ATOM 1378 O ILE A 104 52.081 32.958 -9.935 1.00 11.76 O ATOM 1379 CB ILE A 104 50.549 35.996 -10.151 1.00 11.71 C ATOM 1380 CG1 ILE A 104 49.168 36.462 -10.620 1.00 11.57 C ATOM 1381 CG2 ILE A 104 51.527 35.920 -11.302 1.00 10.88 C ATOM 1382 CD1 ILE A 104 49.094 37.926 -10.981 1.00 13.40 C ATOM 1383 HA ILE A 104 49.775 33.999 -10.105 1.00 0.00 H ATOM 1384 HB ILE A 104 50.950 36.720 -9.442 1.00 0.00 H ATOM 1385 HG12 ILE A 104 48.891 35.879 -11.499 1.00 0.00 H ATOM 1386 HG13 ILE A 104 48.453 36.271 -9.819 1.00 0.00 H ATOM 1387 HD11 ILE A 104 49.355 38.527 -10.110 1.00 0.00 H ATOM 1388 HD12 ILE A 104 49.793 38.135 -11.791 1.00 0.00 H ATOM 1389 HD13 ILE A 104 48.081 38.169 -11.302 1.00 0.00 H ATOM 1390 HG21 ILE A 104 52.501 35.605 -10.929 1.00 0.00 H ATOM 1391 HG22 ILE A 104 51.167 35.199 -12.036 1.00 0.00 H ATOM 1392 HG23 ILE A 104 51.615 36.902 -11.768 1.00 0.00 H ATOM 1393 H ILE A 104 49.433 35.739 -7.887 1.00 0.00 H ATOM 1394 N CYS A 105 52.531 34.467 -8.342 1.00 13.29 N ATOM 1395 CA CYS A 105 53.842 33.919 -8.038 1.00 13.64 C ATOM 1396 C CYS A 105 53.755 32.424 -7.731 1.00 15.26 C ATOM 1397 O CYS A 105 54.518 31.632 -8.290 1.00 14.41 O ATOM 1398 CB CYS A 105 54.427 34.657 -6.848 1.00 12.04 C ATOM 1399 SG CYS A 105 56.198 34.400 -6.575 1.00 11.08 S ATOM 1400 HA CYS A 105 54.486 34.047 -8.908 1.00 0.00 H ATOM 1401 HB2 CYS A 105 53.897 34.329 -5.954 1.00 0.00 H ATOM 1402 HB3 CYS A 105 54.260 35.724 -6.997 1.00 0.00 H ATOM 1403 H CYS A 105 52.192 35.293 -7.809 1.00 0.00 H ATOM 1404 N PHE A 106 52.838 32.043 -6.838 1.00 16.46 N ATOM 1405 CA PHE A 106 52.661 30.634 -6.486 1.00 18.26 C ATOM 1406 C PHE A 106 52.340 29.819 -7.736 1.00 19.24 C ATOM 1407 O PHE A 106 52.921 28.759 -7.977 1.00 18.33 O ATOM 1408 CB PHE A 106 51.517 30.447 -5.480 1.00 18.23 C ATOM 1409 CG PHE A 106 51.835 30.911 -4.088 1.00 18.97 C ATOM 1410 CD1 PHE A 106 53.150 31.014 -3.651 1.00 19.66 C ATOM 1411 CD2 PHE A 106 50.809 31.219 -3.198 1.00 18.19 C ATOM 1412 CE1 PHE A 106 53.438 31.416 -2.342 1.00 20.24 C ATOM 1413 CE2 PHE A 106 51.086 31.620 -1.894 1.00 18.13 C ATOM 1414 CZ PHE A 106 52.401 31.720 -1.464 1.00 18.34 C ATOM 1415 HA PHE A 106 53.592 30.291 -6.035 1.00 0.00 H ATOM 1416 HB2 PHE A 106 50.653 31.007 -5.838 1.00 0.00 H ATOM 1417 HB3 PHE A 106 51.269 29.386 -5.438 1.00 0.00 H ATOM 1418 HD2 PHE A 106 49.773 31.145 -3.528 1.00 0.00 H ATOM 1419 HE2 PHE A 106 50.270 31.855 -1.211 1.00 0.00 H ATOM 1420 HZ PHE A 106 52.621 32.035 -0.444 1.00 0.00 H ATOM 1421 HE1 PHE A 106 54.473 31.491 -2.010 1.00 0.00 H ATOM 1422 HD1 PHE A 106 53.966 30.779 -4.335 1.00 0.00 H ATOM 1423 H PHE A 106 52.238 32.761 -6.384 1.00 0.00 H ATOM 1424 N ARG A 107 51.395 30.325 -8.520 1.00 20.83 N ATOM 1425 CA ARG A 107 50.979 29.670 -9.752 1.00 22.01 C ATOM 1426 C ARG A 107 52.176 29.488 -10.669 1.00 21.91 C ATOM 1427 O ARG A 107 52.299 28.477 -11.356 1.00 22.19 O ATOM 1428 CB ARG A 107 49.920 30.521 -10.460 1.00 22.37 C ATOM 1429 CG ARG A 107 49.499 30.027 -11.842 1.00 21.79 C ATOM 1430 CD ARG A 107 48.813 28.673 -11.779 1.00 24.13 C ATOM 1431 NE ARG A 107 49.706 27.571 -12.124 1.00 27.84 N ATOM 1432 CZ ARG A 107 49.771 27.000 -13.328 1.00 29.25 C ATOM 1433 NH1 ARG A 107 48.988 27.418 -14.315 1.00 28.37 N ATOM 1434 NH2 ARG A 107 50.632 26.014 -13.551 1.00 31.78 N ATOM 1435 HA ARG A 107 50.558 28.694 -9.510 1.00 0.00 H ATOM 1436 HB2 ARG A 107 49.033 30.548 -9.828 1.00 0.00 H ATOM 1437 HB3 ARG A 107 50.318 31.530 -10.570 1.00 0.00 H ATOM 1438 HG2 ARG A 107 48.811 30.750 -12.280 1.00 0.00 H ATOM 1439 HG3 ARG A 107 50.385 29.944 -12.471 1.00 0.00 H ATOM 1440 HD2 ARG A 107 47.975 28.674 -12.476 1.00 0.00 H ATOM 1441 HD3 ARG A 107 48.442 28.517 -10.766 1.00 0.00 H ATOM 1442 HE ARG A 107 50.335 27.206 -11.380 1.00 0.00 H ATOM 1443 HH12 ARG A 107 49.045 26.967 -15.251 1.00 0.00 H ATOM 1444 HH11 ARG A 107 48.317 28.196 -14.153 1.00 0.00 H ATOM 1445 HH22 ARG A 107 50.682 25.570 -14.490 1.00 0.00 H ATOM 1446 HH21 ARG A 107 51.257 25.686 -12.787 1.00 0.00 H ATOM 1447 H ARG A 107 50.938 31.218 -8.245 1.00 0.00 H ATOM 1448 N GLN A 108 53.070 30.465 -10.654 1.00 22.39 N ATOM 1449 CA GLN A 108 54.234 30.427 -11.519 1.00 24.20 C ATOM 1450 C GLN A 108 55.359 29.513 -11.079 1.00 23.39 C ATOM 1451 O GLN A 108 56.314 29.318 -11.819 1.00 24.36 O ATOM 1452 CB GLN A 108 54.783 31.836 -11.703 1.00 26.42 C ATOM 1453 CG GLN A 108 55.585 31.990 -12.970 1.00 30.02 C ATOM 1454 CD GLN A 108 55.797 33.436 -13.334 1.00 32.75 C ATOM 1455 OE1 GLN A 108 55.768 33.797 -14.511 1.00 35.12 O ATOM 1456 NE2 GLN A 108 56.020 34.276 -12.328 1.00 32.98 N ATOM 1457 HA GLN A 108 53.867 30.003 -12.454 1.00 0.00 H ATOM 1458 HB2 GLN A 108 53.947 32.535 -11.733 1.00 0.00 H ATOM 1459 HB3 GLN A 108 55.424 32.074 -10.854 1.00 0.00 H ATOM 1460 HG2 GLN A 108 56.557 31.516 -12.831 1.00 0.00 H ATOM 1461 HG3 GLN A 108 55.055 31.496 -13.784 1.00 0.00 H ATOM 1462 HE22 GLN A 108 56.035 33.923 -11.350 1.00 0.00 H ATOM 1463 HE21 GLN A 108 56.179 35.286 -12.519 1.00 0.00 H ATOM 1464 H GLN A 108 52.935 31.272 -10.012 1.00 0.00 H ATOM 1465 N ASN A 109 55.254 28.952 -9.882 1.00 23.85 N ATOM 1466 CA ASN A 109 56.295 28.068 -9.375 1.00 23.22 C ATOM 1467 C ASN A 109 55.736 26.748 -8.849 1.00 23.76 C ATOM 1468 O ASN A 109 56.429 25.997 -8.161 1.00 23.06 O ATOM 1469 CB ASN A 109 57.075 28.777 -8.275 1.00 21.49 C ATOM 1470 CG ASN A 109 57.802 30.000 -8.781 1.00 21.75 C ATOM 1471 OD1 ASN A 109 58.834 29.893 -9.443 1.00 21.00 O ATOM 1472 ND2 ASN A 109 57.260 31.178 -8.479 1.00 22.96 N ATOM 1473 HA ASN A 109 56.955 27.827 -10.209 1.00 0.00 H ATOM 1474 HB2 ASN A 109 56.379 29.082 -7.493 1.00 0.00 H ATOM 1475 HB3 ASN A 109 57.805 28.082 -7.860 1.00 0.00 H ATOM 1476 HD22 ASN A 109 56.386 31.219 -7.917 1.00 0.00 H ATOM 1477 HD21 ASN A 109 57.710 32.057 -8.806 1.00 0.00 H ATOM 1478 H ASN A 109 54.416 29.146 -9.297 1.00 0.00 H ATOM 1479 N LEU A 110 54.481 26.469 -9.177 1.00 23.40 N ATOM 1480 CA LEU A 110 53.854 25.238 -8.741 1.00 24.80 C ATOM 1481 C LEU A 110 54.688 24.061 -9.201 1.00 26.31 C ATOM 1482 O LEU A 110 54.710 23.014 -8.557 1.00 26.75 O ATOM 1483 CB LEU A 110 52.455 25.115 -9.335 1.00 26.79 C ATOM 1484 CG LEU A 110 51.255 25.314 -8.407 1.00 27.44 C ATOM 1485 CD1 LEU A 110 49.972 25.109 -9.193 1.00 26.85 C ATOM 1486 CD2 LEU A 110 51.326 24.328 -7.251 1.00 27.52 C ATOM 1487 HA LEU A 110 53.782 25.247 -7.653 1.00 0.00 H ATOM 1488 HB2 LEU A 110 52.375 25.856 -10.130 1.00 0.00 H ATOM 1489 HB3 LEU A 110 52.372 24.115 -9.762 1.00 0.00 H ATOM 1490 HG LEU A 110 51.270 26.326 -8.003 1.00 0.00 H ATOM 1491 HD21 LEU A 110 51.314 23.311 -7.642 1.00 0.00 H ATOM 1492 HD22 LEU A 110 52.246 24.493 -6.690 1.00 0.00 H ATOM 1493 HD23 LEU A 110 50.468 24.476 -6.595 1.00 0.00 H ATOM 1494 HD11 LEU A 110 49.927 25.832 -10.008 1.00 0.00 H ATOM 1495 HD12 LEU A 110 49.955 24.098 -9.601 1.00 0.00 H ATOM 1496 HD13 LEU A 110 49.116 25.251 -8.533 1.00 0.00 H ATOM 1497 H LEU A 110 53.940 27.143 -9.755 1.00 0.00 H ATOM 1498 N ASN A 111 55.375 24.243 -10.324 1.00 28.28 N ATOM 1499 CA ASN A 111 56.205 23.191 -10.900 1.00 28.29 C ATOM 1500 C ASN A 111 57.382 22.785 -10.024 1.00 26.96 C ATOM 1501 O ASN A 111 57.959 21.721 -10.229 1.00 29.64 O ATOM 1502 CB ASN A 111 56.728 23.610 -12.279 1.00 31.42 C ATOM 1503 CG ASN A 111 57.708 24.779 -12.211 1.00 34.68 C ATOM 1504 OD1 ASN A 111 58.524 24.968 -13.117 1.00 37.28 O ATOM 1505 ND2 ASN A 111 57.623 25.572 -11.146 1.00 33.92 N ATOM 1506 HA ASN A 111 55.554 22.321 -10.985 1.00 0.00 H ATOM 1507 HB2 ASN A 111 57.233 22.758 -12.734 1.00 0.00 H ATOM 1508 HB3 ASN A 111 55.880 23.902 -12.899 1.00 0.00 H ATOM 1509 HD22 ASN A 111 56.920 25.375 -10.406 1.00 0.00 H ATOM 1510 HD21 ASN A 111 58.260 26.389 -11.054 1.00 0.00 H ATOM 1511 H ASN A 111 55.319 25.163 -10.806 1.00 0.00 H ATOM 1512 N THR A 112 57.754 23.621 -9.061 1.00 24.71 N ATOM 1513 CA THR A 112 58.868 23.277 -8.184 1.00 24.38 C ATOM 1514 C THR A 112 58.453 23.178 -6.725 1.00 24.72 C ATOM 1515 O THR A 112 59.296 23.042 -5.843 1.00 24.61 O ATOM 1516 CB THR A 112 60.030 24.291 -8.289 1.00 22.75 C ATOM 1517 OG1 THR A 112 59.530 25.622 -8.116 1.00 21.49 O ATOM 1518 CG2 THR A 112 60.718 24.171 -9.631 1.00 22.16 C ATOM 1519 HA THR A 112 59.205 22.299 -8.528 1.00 0.00 H ATOM 1520 HB THR A 112 60.755 24.073 -7.505 1.00 0.00 H ATOM 1521 HG1 THR A 112 58.861 25.816 -8.820 1.00 0.00 H ATOM 1522 HG23 THR A 112 61.095 23.156 -9.755 1.00 0.00 H ATOM 1523 HG21 THR A 112 60.005 24.394 -10.425 1.00 0.00 H ATOM 1524 HG22 THR A 112 61.548 24.877 -9.677 1.00 0.00 H ATOM 1525 H THR A 112 57.251 24.522 -8.932 1.00 0.00 H ATOM 1526 N TYR A 113 57.154 23.256 -6.467 1.00 25.84 N ATOM 1527 CA TYR A 113 56.664 23.154 -5.100 1.00 27.27 C ATOM 1528 C TYR A 113 57.219 21.852 -4.540 1.00 27.87 C ATOM 1529 O TYR A 113 57.137 20.810 -5.183 1.00 29.52 O ATOM 1530 CB TYR A 113 55.132 23.143 -5.088 1.00 28.00 C ATOM 1531 CG TYR A 113 54.516 22.936 -3.722 1.00 30.27 C ATOM 1532 CD1 TYR A 113 54.555 21.691 -3.100 1.00 31.53 C ATOM 1533 CD2 TYR A 113 53.886 23.984 -3.053 1.00 31.51 C ATOM 1534 CE1 TYR A 113 53.983 21.492 -1.848 1.00 32.42 C ATOM 1535 CE2 TYR A 113 53.310 23.795 -1.801 1.00 32.98 C ATOM 1536 CZ TYR A 113 53.361 22.544 -1.206 1.00 33.46 C ATOM 1537 OH TYR A 113 52.776 22.336 0.024 1.00 36.32 O ATOM 1538 HA TYR A 113 56.984 24.003 -4.496 1.00 0.00 H ATOM 1539 HB3 TYR A 113 54.792 22.339 -5.740 1.00 0.00 H ATOM 1540 HB2 TYR A 113 54.781 24.098 -5.478 1.00 0.00 H ATOM 1541 HD2 TYR A 113 53.844 24.969 -3.519 1.00 0.00 H ATOM 1542 HE2 TYR A 113 52.822 24.625 -1.291 1.00 0.00 H ATOM 1543 HE1 TYR A 113 54.026 20.510 -1.376 1.00 0.00 H ATOM 1544 HD1 TYR A 113 55.043 20.857 -3.604 1.00 0.00 H ATOM 1545 HH TYR A 113 53.194 22.934 0.693 1.00 0.00 H ATOM 1546 H TYR A 113 56.480 23.391 -7.248 1.00 0.00 H ATOM 1547 N SER A 114 57.789 21.915 -3.345 1.00 27.65 N ATOM 1548 CA SER A 114 58.375 20.737 -2.732 1.00 28.22 C ATOM 1549 C SER A 114 57.804 20.423 -1.352 1.00 29.95 C ATOM 1550 O SER A 114 57.824 21.267 -0.455 1.00 30.93 O ATOM 1551 CB SER A 114 59.888 20.925 -2.636 1.00 28.00 C ATOM 1552 OG SER A 114 60.492 19.873 -1.910 1.00 29.79 O ATOM 1553 HA SER A 114 58.127 19.887 -3.367 1.00 0.00 H ATOM 1554 HB2 SER A 114 60.097 21.869 -2.134 1.00 0.00 H ATOM 1555 HB3 SER A 114 60.307 20.949 -3.642 1.00 0.00 H ATOM 1556 HG SER A 114 61.470 20.023 -1.865 1.00 0.00 H ATOM 1557 H SER A 114 57.817 22.823 -2.839 1.00 0.00 H ATOM 1558 N LYS A 115 57.302 19.203 -1.179 1.00 31.10 N ATOM 1559 CA LYS A 115 56.732 18.794 0.100 1.00 33.13 C ATOM 1560 C LYS A 115 57.768 18.681 1.217 1.00 33.35 C ATOM 1561 O LYS A 115 57.410 18.666 2.392 1.00 33.93 O ATOM 1562 CB LYS A 115 56.003 17.453 -0.033 1.00 34.96 C ATOM 1563 CG LYS A 115 54.640 17.529 -0.692 1.00 38.02 C ATOM 1564 CD LYS A 115 53.912 16.194 -0.567 1.00 40.13 C ATOM 1565 CE LYS A 115 52.467 16.284 -1.048 1.00 41.06 C ATOM 1566 NZ LYS A 115 51.747 14.983 -0.903 1.00 39.16 N ATOM 1567 HA LYS A 115 56.032 19.583 0.374 1.00 0.00 H ATOM 1568 HB2 LYS A 115 56.629 16.785 -0.625 1.00 0.00 H ATOM 1569 HB3 LYS A 115 55.873 17.037 0.966 1.00 0.00 H ATOM 1570 HG2 LYS A 115 54.050 18.307 -0.208 1.00 0.00 H ATOM 1571 HG3 LYS A 115 54.764 17.773 -1.747 1.00 0.00 H ATOM 1572 HD2 LYS A 115 54.437 15.449 -1.165 1.00 0.00 H ATOM 1573 HD3 LYS A 115 53.917 15.887 0.479 1.00 0.00 H ATOM 1574 HE2 LYS A 115 52.463 16.574 -2.099 1.00 0.00 H ATOM 1575 HE3 LYS A 115 51.947 17.042 -0.462 1.00 0.00 H ATOM 1576 HZ1 LYS A 115 52.232 14.255 -1.465 1.00 0.00 H ATOM 1577 HZ2 LYS A 115 51.740 14.702 0.098 1.00 0.00 H ATOM 1578 HZ3 LYS A 115 50.769 15.090 -1.241 1.00 0.00 H ATOM 1579 H LYS A 115 57.316 18.528 -1.970 1.00 0.00 H ATOM 1580 N LYS A 116 59.046 18.590 0.870 1.00 33.03 N ATOM 1581 CA LYS A 116 60.064 18.481 1.908 1.00 33.83 C ATOM 1582 C LYS A 116 60.244 19.813 2.623 1.00 32.52 C ATOM 1583 O LYS A 116 61.041 19.923 3.556 1.00 32.23 O ATOM 1584 CB LYS A 116 61.407 18.032 1.328 1.00 35.68 C ATOM 1585 CG LYS A 116 62.085 19.058 0.443 1.00 38.49 C ATOM 1586 CD LYS A 116 63.466 18.578 0.022 1.00 41.13 C ATOM 1587 CE LYS A 116 63.957 19.315 -1.219 1.00 42.99 C ATOM 1588 NZ LYS A 116 63.095 19.030 -2.409 1.00 43.98 N ATOM 1589 HA LYS A 116 59.723 17.729 2.620 1.00 0.00 H ATOM 1590 HB2 LYS A 116 62.076 17.802 2.157 1.00 0.00 H ATOM 1591 HB3 LYS A 116 61.239 17.131 0.738 1.00 0.00 H ATOM 1592 HG2 LYS A 116 61.476 19.222 -0.446 1.00 0.00 H ATOM 1593 HG3 LYS A 116 62.184 19.995 0.992 1.00 0.00 H ATOM 1594 HD2 LYS A 116 64.167 18.752 0.839 1.00 0.00 H ATOM 1595 HD3 LYS A 116 63.420 17.511 -0.194 1.00 0.00 H ATOM 1596 HE2 LYS A 116 64.977 18.999 -1.437 1.00 0.00 H ATOM 1597 HE3 LYS A 116 63.944 20.387 -1.022 1.00 0.00 H ATOM 1598 HZ1 LYS A 116 63.107 18.009 -2.608 1.00 0.00 H ATOM 1599 HZ2 LYS A 116 62.121 19.335 -2.211 1.00 0.00 H ATOM 1600 HZ3 LYS A 116 63.461 19.549 -3.233 1.00 0.00 H ATOM 1601 H LYS A 116 59.319 18.596 -0.134 1.00 0.00 H ATOM 1602 N TYR A 117 59.513 20.828 2.178 1.00 30.62 N ATOM 1603 CA TYR A 117 59.607 22.134 2.806 1.00 28.92 C ATOM 1604 C TYR A 117 58.361 22.423 3.631 1.00 28.30 C ATOM 1605 O TYR A 117 58.235 23.490 4.227 1.00 27.53 O ATOM 1606 CB TYR A 117 59.836 23.220 1.754 1.00 27.78 C ATOM 1607 CG TYR A 117 61.221 23.171 1.136 1.00 27.58 C ATOM 1608 CD1 TYR A 117 62.366 23.360 1.917 1.00 26.53 C ATOM 1609 CD2 TYR A 117 61.389 22.936 -0.229 1.00 26.80 C ATOM 1610 CE1 TYR A 117 63.641 23.318 1.350 1.00 25.25 C ATOM 1611 CE2 TYR A 117 62.659 22.893 -0.804 1.00 25.10 C ATOM 1612 CZ TYR A 117 63.776 23.087 -0.013 1.00 25.51 C ATOM 1613 OH TYR A 117 65.023 23.073 -0.597 1.00 26.26 O ATOM 1614 HA TYR A 117 60.463 22.133 3.481 1.00 0.00 H ATOM 1615 HB3 TYR A 117 59.701 24.193 2.225 1.00 0.00 H ATOM 1616 HB2 TYR A 117 59.098 23.096 0.961 1.00 0.00 H ATOM 1617 HD2 TYR A 117 60.512 22.783 -0.858 1.00 0.00 H ATOM 1618 HE2 TYR A 117 62.770 22.707 -1.872 1.00 0.00 H ATOM 1619 HE1 TYR A 117 64.524 23.465 1.972 1.00 0.00 H ATOM 1620 HD1 TYR A 117 62.261 23.543 2.986 1.00 0.00 H ATOM 1621 HH TYR A 117 65.713 23.225 0.097 1.00 0.00 H ATOM 1622 H TYR A 117 58.869 20.687 1.374 1.00 0.00 H ATOM 1623 N MET A 118 57.439 21.463 3.660 1.00 28.20 N ATOM 1624 CA MET A 118 56.224 21.599 4.456 1.00 28.25 C ATOM 1625 C MET A 118 56.654 21.397 5.899 1.00 28.42 C ATOM 1626 O MET A 118 57.478 20.528 6.179 1.00 29.31 O ATOM 1627 CB MET A 118 55.201 20.520 4.099 1.00 28.30 C ATOM 1628 CG MET A 118 54.338 20.811 2.888 1.00 30.56 C ATOM 1629 SD MET A 118 53.007 19.587 2.741 1.00 33.36 S ATOM 1630 CE MET A 118 51.830 20.240 3.910 1.00 31.04 C ATOM 1631 HA MET A 118 55.759 22.569 4.278 1.00 0.00 H ATOM 1632 HB2 MET A 118 55.743 19.593 3.910 1.00 0.00 H ATOM 1633 HB3 MET A 118 54.542 20.386 4.957 1.00 0.00 H ATOM 1634 HG2 MET A 118 54.956 20.777 1.991 1.00 0.00 H ATOM 1635 HG3 MET A 118 53.901 21.805 2.990 1.00 0.00 H ATOM 1636 HE1 MET A 118 52.285 20.277 4.900 1.00 0.00 H ATOM 1637 HE2 MET A 118 51.537 21.245 3.606 1.00 0.00 H ATOM 1638 HE3 MET A 118 50.951 19.596 3.936 1.00 0.00 H ATOM 1639 H MET A 118 57.588 20.597 3.103 1.00 0.00 H ATOM 1640 N LEU A 119 56.108 22.187 6.816 1.00 27.10 N ATOM 1641 CA LEU A 119 56.468 22.054 8.223 1.00 26.01 C ATOM 1642 C LEU A 119 57.971 22.223 8.455 1.00 24.26 C ATOM 1643 O LEU A 119 58.539 21.610 9.358 1.00 22.85 O ATOM 1644 CB LEU A 119 56.037 20.684 8.752 1.00 26.47 C ATOM 1645 CG LEU A 119 54.562 20.297 8.660 1.00 28.78 C ATOM 1646 CD1 LEU A 119 54.349 19.022 9.459 1.00 30.13 C ATOM 1647 CD2 LEU A 119 53.679 21.404 9.217 1.00 30.43 C ATOM 1648 HA LEU A 119 55.948 22.848 8.759 1.00 0.00 H ATOM 1649 HB2 LEU A 119 56.602 19.933 8.199 1.00 0.00 H ATOM 1650 HB3 LEU A 119 56.315 20.644 9.805 1.00 0.00 H ATOM 1651 HG LEU A 119 54.293 20.141 7.615 1.00 0.00 H ATOM 1652 HD21 LEU A 119 53.933 21.578 10.262 1.00 0.00 H ATOM 1653 HD22 LEU A 119 53.840 22.318 8.645 1.00 0.00 H ATOM 1654 HD23 LEU A 119 52.633 21.106 9.141 1.00 0.00 H ATOM 1655 HD11 LEU A 119 54.970 18.227 9.045 1.00 0.00 H ATOM 1656 HD12 LEU A 119 54.625 19.196 10.499 1.00 0.00 H ATOM 1657 HD13 LEU A 119 53.300 18.731 9.404 1.00 0.00 H ATOM 1658 H LEU A 119 55.416 22.908 6.528 1.00 0.00 H ATOM 1659 N TYR A 120 58.613 23.056 7.646 1.00 24.09 N ATOM 1660 CA TYR A 120 60.049 23.270 7.784 1.00 25.63 C ATOM 1661 C TYR A 120 60.384 23.748 9.197 1.00 25.19 C ATOM 1662 O TYR A 120 59.744 24.654 9.720 1.00 25.26 O ATOM 1663 CB TYR A 120 60.531 24.291 6.751 1.00 25.86 C ATOM 1664 CG TYR A 120 62.021 24.237 6.493 1.00 26.83 C ATOM 1665 CD1 TYR A 120 62.629 23.063 6.053 1.00 27.86 C ATOM 1666 CD2 TYR A 120 62.820 25.363 6.667 1.00 28.12 C ATOM 1667 CE1 TYR A 120 64.000 23.013 5.792 1.00 28.24 C ATOM 1668 CE2 TYR A 120 64.187 25.325 6.409 1.00 28.46 C ATOM 1669 CZ TYR A 120 64.770 24.147 5.974 1.00 29.10 C ATOM 1670 OH TYR A 120 66.126 24.110 5.735 1.00 31.74 O ATOM 1671 HA TYR A 120 60.561 22.324 7.608 1.00 0.00 H ATOM 1672 HB3 TYR A 120 60.279 25.289 7.110 1.00 0.00 H ATOM 1673 HB2 TYR A 120 60.012 24.102 5.812 1.00 0.00 H ATOM 1674 HD2 TYR A 120 62.367 26.292 7.012 1.00 0.00 H ATOM 1675 HE2 TYR A 120 64.796 26.218 6.549 1.00 0.00 H ATOM 1676 HE1 TYR A 120 64.460 22.087 5.447 1.00 0.00 H ATOM 1677 HD1 TYR A 120 62.024 22.168 5.910 1.00 0.00 H ATOM 1678 HH TYR A 120 66.382 23.203 5.433 1.00 0.00 H ATOM 1679 H TYR A 120 58.086 23.562 6.905 1.00 0.00 H ATOM 1680 N PRO A 121 61.393 23.137 9.835 1.00 25.60 N ATOM 1681 CA PRO A 121 61.767 23.540 11.191 1.00 25.94 C ATOM 1682 C PRO A 121 62.504 24.871 11.264 1.00 26.84 C ATOM 1683 O PRO A 121 63.437 25.139 10.502 1.00 26.99 O ATOM 1684 CB PRO A 121 62.610 22.365 11.678 1.00 25.38 C ATOM 1685 CG PRO A 121 63.275 21.905 10.441 1.00 25.22 C ATOM 1686 CD PRO A 121 62.156 21.948 9.417 1.00 26.22 C ATOM 1687 HA PRO A 121 60.895 23.732 11.816 1.00 0.00 H ATOM 1688 HD3 PRO A 121 62.549 22.066 8.407 1.00 0.00 H ATOM 1689 HD2 PRO A 121 61.543 21.048 9.464 1.00 0.00 H ATOM 1690 HG3 PRO A 121 63.662 20.893 10.557 1.00 0.00 H ATOM 1691 HG2 PRO A 121 64.089 22.574 10.161 1.00 0.00 H ATOM 1692 HB2 PRO A 121 63.340 22.686 12.421 1.00 0.00 H ATOM 1693 HB3 PRO A 121 61.983 21.581 12.102 1.00 0.00 H ATOM 1694 N ASP A 122 62.066 25.691 12.208 1.00 26.58 N ATOM 1695 CA ASP A 122 62.609 27.015 12.444 1.00 27.39 C ATOM 1696 C ASP A 122 64.129 27.170 12.457 1.00 28.42 C ATOM 1697 O ASP A 122 64.672 28.013 11.745 1.00 28.37 O ATOM 1698 CB ASP A 122 62.030 27.553 13.753 1.00 28.65 C ATOM 1699 CG ASP A 122 62.675 28.838 14.185 1.00 29.10 C ATOM 1700 OD1 ASP A 122 63.841 28.786 14.624 1.00 29.66 O ATOM 1701 OD2 ASP A 122 62.017 29.895 14.081 1.00 30.75 O ATOM 1702 HA ASP A 122 62.307 27.589 11.568 1.00 0.00 H ATOM 1703 HB2 ASP A 122 60.962 27.726 13.618 1.00 0.00 H ATOM 1704 HB3 ASP A 122 62.180 26.807 14.534 1.00 0.00 H ATOM 1705 H ASP A 122 61.287 25.366 12.816 1.00 0.00 H ATOM 1706 N PHE A 124 64.820 26.370 13.263 1.00 29.70 N ATOM 1707 CA PHE A 124 66.271 26.486 13.365 1.00 29.80 C ATOM 1708 C PHE A 124 66.996 26.384 12.029 1.00 30.30 C ATOM 1709 O PHE A 124 68.161 26.772 11.923 1.00 29.91 O ATOM 1710 CB PHE A 124 66.834 25.437 14.329 1.00 29.87 C ATOM 1711 CG PHE A 124 67.058 24.092 13.703 1.00 30.47 C ATOM 1712 CD1 PHE A 124 65.986 23.342 13.218 1.00 30.25 C ATOM 1713 CD2 PHE A 124 68.343 23.570 13.598 1.00 29.27 C ATOM 1714 CE1 PHE A 124 66.199 22.086 12.635 1.00 29.72 C ATOM 1715 CE2 PHE A 124 68.564 22.319 13.016 1.00 28.87 C ATOM 1716 CZ PHE A 124 67.492 21.576 12.536 1.00 28.14 C ATOM 1717 HA PHE A 124 66.453 27.490 13.749 1.00 0.00 H ATOM 1718 HB2 PHE A 124 67.787 25.800 14.713 1.00 0.00 H ATOM 1719 HB3 PHE A 124 66.133 25.319 15.155 1.00 0.00 H ATOM 1720 HD2 PHE A 124 69.189 24.145 13.975 1.00 0.00 H ATOM 1721 HE2 PHE A 124 69.578 21.926 12.938 1.00 0.00 H ATOM 1722 HZ PHE A 124 67.662 20.599 12.084 1.00 0.00 H ATOM 1723 HE1 PHE A 124 65.354 21.508 12.259 1.00 0.00 H ATOM 1724 HD1 PHE A 124 64.973 23.737 13.293 1.00 0.00 H ATOM 1725 H PHE A 124 64.321 25.653 13.827 1.00 0.00 H ATOM 1726 N LEU A 125 66.318 25.863 11.010 1.00 31.31 N ATOM 1727 CA LEU A 125 66.933 25.734 9.692 1.00 32.20 C ATOM 1728 C LEU A 125 66.747 26.980 8.834 1.00 32.70 C ATOM 1729 O LEU A 125 66.850 26.925 7.610 1.00 33.60 O ATOM 1730 CB LEU A 125 66.378 24.515 8.955 1.00 31.19 C ATOM 1731 CG LEU A 125 66.809 23.168 9.536 1.00 32.32 C ATOM 1732 CD1 LEU A 125 66.328 22.042 8.625 1.00 30.73 C ATOM 1733 CD2 LEU A 125 68.331 23.133 9.684 1.00 30.66 C ATOM 1734 HA LEU A 125 68.002 25.606 9.860 1.00 0.00 H ATOM 1735 HB2 LEU A 125 65.290 24.566 8.985 1.00 0.00 H ATOM 1736 HB3 LEU A 125 66.714 24.562 7.919 1.00 0.00 H ATOM 1737 HG LEU A 125 66.363 23.033 10.522 1.00 0.00 H ATOM 1738 HD21 LEU A 125 68.793 23.270 8.706 1.00 0.00 H ATOM 1739 HD22 LEU A 125 68.648 23.933 10.352 1.00 0.00 H ATOM 1740 HD23 LEU A 125 68.632 22.171 10.098 1.00 0.00 H ATOM 1741 HD11 LEU A 125 65.241 22.075 8.552 1.00 0.00 H ATOM 1742 HD12 LEU A 125 66.764 22.167 7.634 1.00 0.00 H ATOM 1743 HD13 LEU A 125 66.636 21.083 9.041 1.00 0.00 H ATOM 1744 H LEU A 125 65.339 25.544 11.154 1.00 0.00 H ATOM 1745 N CYS A 126 66.476 28.101 9.488 1.00 33.36 N ATOM 1746 CA CYS A 126 66.280 29.366 8.803 1.00 34.60 C ATOM 1747 C CYS A 126 67.179 30.398 9.469 1.00 38.11 C ATOM 1748 O CYS A 126 66.768 31.089 10.400 1.00 38.55 O ATOM 1749 CB CYS A 126 64.812 29.781 8.897 1.00 30.86 C ATOM 1750 SG CYS A 126 63.667 28.602 8.099 1.00 23.04 S ATOM 1751 HA CYS A 126 66.535 29.281 7.747 1.00 0.00 H ATOM 1752 HB2 CYS A 126 64.697 30.753 8.417 1.00 0.00 H ATOM 1753 HB3 CYS A 126 64.544 29.864 9.950 1.00 0.00 H ATOM 1754 H CYS A 126 66.401 28.073 10.525 1.00 0.00 H ATOM 1755 N LYS A 127 68.412 30.495 8.982 1.00 41.97 N ATOM 1756 CA LYS A 127 69.390 31.415 9.552 1.00 46.34 C ATOM 1757 C LYS A 127 69.728 32.596 8.645 1.00 48.85 C ATOM 1758 O LYS A 127 69.803 32.459 7.422 1.00 48.83 O ATOM 1759 CB LYS A 127 70.686 30.662 9.866 1.00 46.73 C ATOM 1760 CG LYS A 127 70.495 29.188 10.178 1.00 49.06 C ATOM 1761 CD LYS A 127 71.837 28.471 10.266 1.00 50.79 C ATOM 1762 CE LYS A 127 71.668 26.959 10.322 1.00 51.66 C ATOM 1763 NZ LYS A 127 70.892 26.518 11.518 1.00 53.16 N ATOM 1764 HA LYS A 127 68.930 31.819 10.454 1.00 0.00 H ATOM 1765 HB2 LYS A 127 71.347 30.745 9.003 1.00 0.00 H ATOM 1766 HB3 LYS A 127 71.155 31.135 10.728 1.00 0.00 H ATOM 1767 HG2 LYS A 127 69.974 29.089 11.131 1.00 0.00 H ATOM 1768 HG3 LYS A 127 69.897 28.731 9.390 1.00 0.00 H ATOM 1769 HD2 LYS A 127 72.432 28.727 9.390 1.00 0.00 H ATOM 1770 HD3 LYS A 127 72.356 28.802 11.166 1.00 0.00 H ATOM 1771 HE2 LYS A 127 72.655 26.497 10.355 1.00 0.00 H ATOM 1772 HE3 LYS A 127 71.144 26.631 9.424 1.00 0.00 H ATOM 1773 HZ1 LYS A 127 71.387 26.819 12.381 1.00 0.00 H ATOM 1774 HZ2 LYS A 127 69.945 26.947 11.493 1.00 0.00 H ATOM 1775 HZ3 LYS A 127 70.805 25.482 11.510 1.00 0.00 H ATOM 1776 H LYS A 127 68.686 29.900 8.174 1.00 0.00 H ATOM 1777 N GLY A 128 69.948 33.752 9.264 1.00 50.83 N ATOM 1778 CA GLY A 128 70.307 34.939 8.516 1.00 53.27 C ATOM 1779 C GLY A 128 69.158 35.867 8.190 1.00 55.18 C ATOM 1780 O GLY A 128 68.045 35.425 7.910 1.00 56.14 O ATOM 1781 HA3 GLY A 128 70.761 34.622 7.577 1.00 0.00 H ATOM 1782 HA2 GLY A 128 71.037 35.498 9.101 1.00 0.00 H ATOM 1783 H GLY A 128 69.861 33.804 10.299 1.00 0.00 H ATOM 1784 N GLU A 129 69.428 37.166 8.239 1.00 56.38 N ATOM 1785 CA GLU A 129 68.414 38.154 7.915 1.00 57.13 C ATOM 1786 C GLU A 129 68.588 38.494 6.445 1.00 55.70 C ATOM 1787 O GLU A 129 69.691 38.402 5.900 1.00 56.21 O ATOM 1788 CB GLU A 129 68.585 39.417 8.769 1.00 60.38 C ATOM 1789 CG GLU A 129 67.413 39.699 9.712 1.00 64.60 C ATOM 1790 CD GLU A 129 66.120 40.027 8.974 1.00 67.39 C ATOM 1791 OE1 GLU A 129 65.961 41.182 8.517 1.00 68.37 O ATOM 1792 OE2 GLU A 129 65.265 39.121 8.844 1.00 68.72 O ATOM 1793 HA GLU A 129 67.419 37.759 8.118 1.00 0.00 H ATOM 1794 HB2 GLU A 129 69.488 39.305 9.369 1.00 0.00 H ATOM 1795 HB3 GLU A 129 68.699 40.270 8.100 1.00 0.00 H ATOM 1796 HG2 GLU A 129 67.246 38.818 10.332 1.00 0.00 H ATOM 1797 HG3 GLU A 129 67.674 40.545 10.348 1.00 0.00 H ATOM 1798 H GLU A 129 70.380 37.481 8.514 1.00 0.00 H ATOM 1799 N LEU A 130 67.489 38.857 5.800 1.00 53.36 N ATOM 1800 CA LEU A 130 67.512 39.233 4.397 1.00 50.21 C ATOM 1801 C LEU A 130 66.647 40.484 4.348 1.00 48.10 C ATOM 1802 O LEU A 130 65.535 40.494 4.877 1.00 47.88 O ATOM 1803 CB LEU A 130 66.910 38.118 3.535 1.00 50.27 C ATOM 1804 CG LEU A 130 67.479 37.949 2.122 1.00 50.29 C ATOM 1805 CD1 LEU A 130 66.833 36.748 1.461 1.00 49.13 C ATOM 1806 CD2 LEU A 130 67.242 39.206 1.300 1.00 50.42 C ATOM 1807 HA LEU A 130 68.519 39.402 4.015 1.00 0.00 H ATOM 1808 HB2 LEU A 130 67.057 37.177 4.064 1.00 0.00 H ATOM 1809 HB3 LEU A 130 65.842 38.316 3.439 1.00 0.00 H ATOM 1810 HG LEU A 130 68.555 37.786 2.184 1.00 0.00 H ATOM 1811 HD21 LEU A 130 66.171 39.397 1.231 1.00 0.00 H ATOM 1812 HD22 LEU A 130 67.733 40.052 1.782 1.00 0.00 H ATOM 1813 HD23 LEU A 130 67.653 39.067 0.300 1.00 0.00 H ATOM 1814 HD11 LEU A 130 67.044 35.854 2.049 1.00 0.00 H ATOM 1815 HD12 LEU A 130 65.755 36.902 1.405 1.00 0.00 H ATOM 1816 HD13 LEU A 130 67.237 36.627 0.456 1.00 0.00 H ATOM 1817 H LEU A 130 66.584 38.873 6.313 1.00 0.00 H ATOM 1818 N LYS A 131 67.161 41.546 3.741 1.00 45.24 N ATOM 1819 CA LYS A 131 66.407 42.785 3.673 1.00 42.81 C ATOM 1820 C LYS A 131 65.452 42.837 2.493 1.00 40.26 C ATOM 1821 O LYS A 131 65.697 42.251 1.439 1.00 39.83 O ATOM 1822 CB LYS A 131 67.358 43.981 3.634 1.00 44.28 C ATOM 1823 CG LYS A 131 68.325 44.026 4.815 1.00 46.22 C ATOM 1824 CD LYS A 131 69.171 45.285 4.776 1.00 49.07 C ATOM 1825 CE LYS A 131 70.660 44.939 4.765 1.00 50.37 C ATOM 1826 NZ LYS A 131 71.506 46.145 4.969 1.00 52.54 N ATOM 1827 HA LYS A 131 65.795 42.829 4.574 1.00 0.00 H ATOM 1828 HB2 LYS A 131 67.939 43.931 2.713 1.00 0.00 H ATOM 1829 HB3 LYS A 131 66.764 44.895 3.638 1.00 0.00 H ATOM 1830 HG2 LYS A 131 67.755 44.008 5.744 1.00 0.00 H ATOM 1831 HG3 LYS A 131 68.979 43.155 4.774 1.00 0.00 H ATOM 1832 HD2 LYS A 131 68.929 45.851 3.876 1.00 0.00 H ATOM 1833 HD3 LYS A 131 68.951 45.891 5.655 1.00 0.00 H ATOM 1834 HE2 LYS A 131 70.911 44.489 3.805 1.00 0.00 H ATOM 1835 HE3 LYS A 131 70.863 44.225 5.563 1.00 0.00 H ATOM 1836 HZ1 LYS A 131 71.322 46.829 4.207 1.00 0.00 H ATOM 1837 HZ2 LYS A 131 71.276 46.577 5.887 1.00 0.00 H ATOM 1838 HZ3 LYS A 131 72.509 45.870 4.955 1.00 0.00 H ATOM 1839 H LYS A 131 68.107 41.491 3.313 1.00 0.00 H ATOM 1840 N CYS A 133 64.348 43.541 2.693 1.00 36.82 N ATOM 1841 CA CYS A 133 63.334 43.690 1.671 1.00 33.82 C ATOM 1842 C CYS A 133 63.787 44.666 0.601 1.00 33.71 C ATOM 1843 O CYS A 133 63.428 44.460 -0.577 1.00 31.95 O ATOM 1844 CB CYS A 133 62.038 44.176 2.304 1.00 31.77 C ATOM 1845 SG CYS A 133 61.196 42.912 3.304 1.00 25.24 S ATOM 1846 HA CYS A 133 63.168 42.721 1.201 1.00 0.00 H ATOM 1847 OXT CYS A 133 64.484 45.634 0.966 1.00 35.53 O ATOM 1848 HB2 CYS A 133 61.363 44.492 1.509 1.00 0.00 H ATOM 1849 HB3 CYS A 133 62.266 45.028 2.945 1.00 0.00 H ATOM 1850 H CYS A 133 64.205 44.002 3.614 1.00 0.00 H TER 1851 CYS A 133 HETATM 1852 O HOH 1 55.646 41.296 7.347 1.00 80.49 O HETATM 1853 O HOH 2 54.853 37.616 -3.569 1.00 2.00 O HETATM 1854 O HOH 3 50.077 46.488 11.435 1.00 23.28 O HETATM 1855 O HOH 4 57.240 28.901 7.386 1.00 20.25 O HETATM 1856 O HOH 5 68.503 42.529 0.197 1.00 42.85 O HETATM 1857 O HOH 6 70.904 37.098 -1.797 1.00 40.86 O HETATM 1858 O HOH 7 48.920 40.552 -12.820 1.00 53.51 O HETATM 1859 O HOH 8 44.233 49.778 8.881 1.00 11.72 O HETATM 1860 O HOH 9 32.886 39.963 2.433 1.00 45.62 O HETATM 1861 O HOH 10 47.878 44.051 13.366 1.00 71.86 O HETATM 1862 O HOH 11 50.625 51.540 6.147 1.00 28.20 O HETATM 1863 O HOH 12 68.425 34.948 -0.897 1.00 56.23 O HETATM 1864 O HOH 13 53.815 27.217 -5.383 1.00 23.16 O HETATM 1865 O HOH 14 35.997 49.139 -8.280 1.00 38.83 O HETATM 1866 O HOH 15 34.108 49.363 -5.675 1.00 42.50 O HETATM 1867 O HOH 16 39.809 46.493 -2.124 1.00 86.89 O HETATM 1868 O HOH 17 69.753 27.162 -7.560 1.00 45.22 O HETATM 1869 O HOH 18 61.098 36.652 -5.700 1.00 36.02 O HETATM 1870 O HOH 19 66.012 35.391 -2.954 1.00 63.42 O HETATM 1871 O HOH 20 58.078 31.500 -15.423 1.00 43.89 O HETATM 1872 O HOH 21 60.365 34.293 13.093 1.00 47.31 O HETATM 1873 O HOH 22 46.668 42.210 9.883 1.00 18.51 O HETATM 1874 O HOH 23 70.147 41.079 2.634 1.00 38.32 O HETATM 1875 O HOH 24 30.417 40.014 -2.579 1.00 67.31 O HETATM 1876 O HOH 25 53.620 55.477 9.621 1.00 54.52 O HETATM 1877 O HOH 26 41.255 54.927 2.012 1.00 44.03 O HETATM 1878 O HOH 27 69.865 27.891 14.561 1.00 82.75 O HETATM 1879 O HOH 28 30.014 43.098 -2.378 1.00 58.05 O HETATM 1880 O HOH 29 36.493 46.587 0.119 1.00 48.92 O HETATM 1881 O HOH 30 68.017 29.643 -6.586 1.00 19.79 O HETATM 1882 O HOH 31 67.090 21.557 4.597 1.00 37.96 O HETATM 1883 O HOH 32 43.801 47.660 6.760 1.00 10.08 O HETATM 1884 O HOH 33 68.225 24.003 -1.581 1.00 36.02 O HETATM 1885 O HOH 34 36.745 47.616 -11.191 1.00 76.41 O HETATM 1886 O HOH 35 44.486 39.997 2.905 1.00 16.53 O HETATM 1887 O HOH 36 48.299 44.706 -10.689 1.00 21.62 O HETATM 1888 O HOH 37 45.046 48.305 -6.333 1.00 37.38 O HETATM 1889 O HOH 38 41.718 48.602 -6.526 1.00 49.96 O HETATM 1890 O HOH 39 49.517 56.382 7.711 1.00 39.27 O HETATM 1891 O HOH 40 56.962 35.688 -9.396 1.00 32.62 O HETATM 1892 O HOH 41 51.126 29.282 -14.037 1.00 99.99 O HETATM 1893 O HOH 42 42.891 34.945 -18.631 1.00 49.63 O HETATM 1894 O HOH 43 39.940 36.947 -23.283 1.00 31.58 O HETATM 1895 O HOH 44 36.916 46.600 -3.227 1.00 39.26 O HETATM 1896 O HOH 45 43.668 44.807 -10.173 1.00 20.66 O HETATM 1897 O HOH 46 52.806 24.238 4.925 1.00 26.26 O HETATM 1898 O HOH 47 45.866 35.152 -13.790 1.00 28.08 O HETATM 1899 O HOH 48 46.108 38.347 -12.615 1.00 43.74 O HETATM 1900 O HOH 49 40.749 57.787 -3.705 1.00 83.96 O HETATM 1901 O HOH 50 35.998 36.357 -6.259 1.00 38.65 O HETATM 1902 O HOH 51 33.273 41.036 -4.706 1.00 74.28 O HETATM 1903 O HOH 52 43.076 22.710 6.503 1.00 44.28 O HETATM 1904 O HOH 53 52.667 37.545 4.035 1.00 76.53 O HETATM 1905 O HOH 54 50.028 30.859 3.481 1.00 33.35 O HETATM 1906 O HOH 55 63.395 39.370 6.391 1.00 47.28 O HETATM 1907 O HOH 56 46.009 19.582 -5.663 1.00 47.47 O HETATM 1908 O HOH 57 56.757 47.504 8.870 1.00 37.37 O HETATM 1909 O HOH 58 48.260 43.648 -13.735 1.00 51.73 O HETATM 1910 O HOH 59 55.959 17.403 -4.552 1.00 29.23 O HETATM 1911 O HOH 60 59.991 20.073 6.639 1.00 31.37 O HETATM 1912 O HOH 61 59.620 27.323 -10.608 1.00 28.95 O HETATM 1913 O HOH 62 63.158 42.822 6.570 1.00 69.05 O HETATM 1914 O HOH 63 38.139 39.033 8.268 1.00 39.72 O HETATM 1915 O HOH 64 60.712 39.680 4.746 1.00 39.38 O HETATM 1916 O HOH 65 65.864 28.036 -5.077 1.00 35.84 O HETATM 1917 O HOH 66 35.079 40.509 0.259 1.00 60.78 O HETATM 1918 O HOH 67 59.197 45.978 3.575 1.00 32.90 O HETATM 1919 O HOH 68 71.721 39.937 7.220 1.00 35.24 O HETATM 1920 O HOH 69 66.345 47.648 9.839 1.00 44.04 O HETATM 1921 O HOH 70 60.259 19.854 -9.591 1.00 44.52 O HETATM 1922 O HOH 71 48.530 47.291 -12.639 1.00 38.91 O HETATM 1923 O HOH 72 53.618 40.166 -3.019 1.00 11.35 O HETATM 1924 O HOH 73 60.079 33.756 -6.356 1.00 29.30 O HETATM 1925 O HOH 74 35.494 30.778 -6.099 1.00 46.38 O HETATM 1926 O HOH 75 36.151 34.199 -14.975 1.00 42.38 O HETATM 1927 O HOH 76 64.226 31.962 12.482 1.00 51.13 O HETATM 1928 O HOH 77 37.607 34.448 -8.041 1.00 37.59 O HETATM 1929 O HOH 78 45.354 20.808 -0.908 1.00 37.74 O HETATM 1930 O HOH 79 54.708 34.668 6.915 1.00 65.99 O HETATM 1931 O HOH 80 52.343 18.002 -4.274 1.00 51.97 O HETATM 1932 O HOH 81 56.321 17.639 -7.140 1.00 53.29 O HETATM 1933 O HOH 82 53.850 37.934 7.294 1.00 45.33 O HETATM 1934 O HOH 83 35.666 39.451 -19.338 1.00 79.39 O HETATM 1935 O HOH 84 34.789 33.102 -12.400 1.00 33.56 O HETATM 1936 O HOH 85 35.810 37.542 -22.971 1.00 46.85 O HETATM 1937 C1 DIF A 86 46.045 30.976 8.115 1.00 -0.06 C HETATM 1938 C2 DIF A 86 47.261 31.509 7.663 1.00 0.06 C HETATM 1939 CL2 DIF A 86 48.439 31.485 8.913 1.00 -0.08 CL HETATM 1940 C3 DIF A 86 47.617 32.047 6.288 1.00 0.09 C HETATM 1941 C4 DIF A 86 46.410 31.920 5.476 1.00 0.06 C HETATM 1942 CL4 DIF A 86 46.745 32.527 3.849 1.00 -0.08 CL HETATM 1943 C5 DIF A 86 45.204 31.376 5.973 1.00 -0.06 C HETATM 1944 C6 DIF A 86 44.999 30.912 7.272 1.00 -0.07 C HETATM 1945 H3 DIF A 86 44.040 30.518 7.588 1.00 0.05 H HETATM 1946 H2 DIF A 86 44.367 31.314 5.286 1.00 0.06 H HETATM 1947 N1 DIF A 86 48.707 32.631 5.577 1.00 -0.28 N HETATM 1948 C8 DIF A 86 49.612 33.601 5.949 1.00 0.06 C HETATM 1949 C7 DIF A 86 50.718 34.163 5.112 1.00 -0.01 C HETATM 1950 C12 DIF A 86 51.596 35.145 5.564 1.00 -0.07 C HETATM 1951 C11 DIF A 86 51.442 35.634 6.826 1.00 -0.08 C HETATM 1952 C10 DIF A 86 50.401 35.121 7.622 1.00 -0.08 C HETATM 1953 C9 DIF A 86 49.503 34.134 7.206 1.00 -0.05 C HETATM 1954 H5 DIF A 86 48.723 33.791 7.876 1.00 0.05 H HETATM 1955 H6 DIF A 86 50.288 35.518 8.624 1.00 0.05 H HETATM 1956 H7 DIF A 86 52.106 36.401 7.208 1.00 0.05 H HETATM 1957 H8 DIF A 86 52.388 35.514 4.923 1.00 0.05 H HETATM 1958 C13 DIF A 86 50.914 33.847 3.724 1.00 0.03 C HETATM 1959 C14 DIF A 86 52.073 33.741 2.889 1.00 0.04 C HETATM 1960 O1 DIF A 86 52.705 34.816 2.779 1.00 -0.57 O HETATM 1961 O2 DIF A 86 52.253 32.598 2.400 1.00 -0.57 O HETATM 1962 H9 DIF A 86 50.301 34.600 3.207 1.00 0.06 H HETATM 1963 H10 DIF A 86 50.442 32.858 3.623 1.00 0.06 H HETATM 1964 H4 DIF A 86 48.840 32.265 4.623 1.00 0.21 H HETATM 1965 H1 DIF A 86 45.949 30.619 9.134 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 393 392 1750 CONECT 424 423 640 CONECT 630 629 1399 CONECT 640 424 639 CONECT 714 713 1845 CONECT 724 723 1306 CONECT 821 820 1199 CONECT 1120 1119 1281 CONECT 1199 821 1198 CONECT 1281 1120 1280 CONECT 1306 724 1305 CONECT 1399 630 1398 CONECT 1750 393 1749 CONECT 1845 714 1844 CONECT 1937 1938 1944 1965 CONECT 1938 1937 1939 1940 CONECT 1939 1938 CONECT 1940 1938 1941 1947 CONECT 1941 1940 1942 1943 CONECT 1942 1941 CONECT 1943 1941 1944 1946 CONECT 1944 1937 1943 1945 CONECT 1945 1944 CONECT 1946 1943 CONECT 1947 1940 1948 1964 CONECT 1948 1947 1949 1953 CONECT 1949 1948 1950 1958 CONECT 1950 1949 1951 1957 CONECT 1951 1950 1952 1956 CONECT 1952 1951 1953 1955 CONECT 1953 1948 1952 1954 CONECT 1954 1953 CONECT 1955 1952 CONECT 1956 1951 CONECT 1957 1950 CONECT 1958 1949 1959 1962 1963 CONECT 1959 1958 1960 1961 CONECT 1960 1959 CONECT 1961 1959 CONECT 1962 1958 CONECT 1963 1958 CONECT 1964 1947 CONECT 1965 1937 MASTER 0 0 0 0 0 0 0 0 1964 1 47 10 END
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Related entries of code: 2b17
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1fv0
RCSB PDB
PDBbind
121aa, >1FV0_1|Chains... *
1jq8
RCSB PDB
PDBbind
121aa, >1JQ8_1|Chains... at 100%
1jq9
RCSB PDB
PDBbind
121aa, >1JQ9_1|Chains... at 100%
1kpm
RCSB PDB
PDBbind
121aa, >1KPM_1|Chains... at 100%
1q7a
RCSB PDB
PDBbind
121aa, >1Q7A_1|Chain... at 100%
1sv3
RCSB PDB
PDBbind
121aa, >1SV3_1|Chain... at 100%
2arm
RCSB PDB
PDBbind
121aa, >2ARM_1|Chain... at 100%
3h1x
RCSB PDB
PDBbind
121aa, >3H1X_1|Chain... at 100%
4qem
RCSB PDB
PDBbind
121aa, >4QEM_1|Chain... at 100%
4qer
RCSB PDB
PDBbind
121aa, >4QER_1|Chain... at 100%
4qf7
RCSB PDB
PDBbind
121aa, >4QF7_1|Chain... at 100%
4qf8
RCSB PDB
PDBbind
121aa, >4QF8_1|Chain... at 100%
4qgd
RCSB PDB
PDBbind
121aa, >4QGD_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4xta
RCSB PDB
PDBbind
DIF
Entry Information
PDB ID
2b17
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
phospholipase a2 vrv-pl-viiia
Ligand Name
DIF
EC.Number
E.C.3.1.1.4
Resolution
2.71(Å)
Affinity (Kd/Ki/IC50)
Ki=0.62uM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
ACTA CRYSTALLOGR.,SECT.Dv62;pp.410-416
Ligand Properties
Formula
C
1
4
H
1
1
Cl
2
NO
2
Molecular Weight
296.149
Exact Mass
295.017
No. of atoms
30
No. of bonds
31
Polar Surface Area
49.33
LOGP Value
5.63 (
Computed with XLOGP3
)
4.44 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChI String
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P59071
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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